SCHEMBL9910780

SCHEMBL9910780

CC(C)c1ccsc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
PDPK1 O15530 1/20 0.36
NPC1 O15118 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
PTPRC P08575 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27384353 0.76 DHODH (0.35) PTGS2NPC1ALDH1A1CYP2A6CASP3
SCHEMBL12921979 0.73 NPC1 (0.38) KMT2ANPC1CYP3A4CYP2C19KDM4E
SCHEMBL14883234 0.72 GABRA1 (0.33) PDPK1NPC1GABRA1GABRB2CYP3A4
SCHEMBL11497551 0.72 TP53 (0.43) PTGS2KMT2ATP53ALOX15MAPK1
SCHEMBL27379003 0.72 CYP2A6 (0.37) CYP3A4CYP2C19CYP2E1CYP2D6CYP2A6
SCHEMBL1821918 0.71 CYP2A6 (0.60) PTGS2KMT2ATP53ALOX15MAPK1
SCHEMBL1681771 0.69 PTGS2 (0.65) PTGS2PTPRC
SCHEMBL3316273 0.68 KMT2A (0.42) PTGS2KMT2ATP53ALOX15MAPK1
SCHEMBL26176500 0.68 ALOX5 (0.38) PTGS2KMT2ATP53MAPK1NPC1
SCHEMBL20033971 0.68 TDO2 (0.40) PTGS2ALOX15GABRA1GABRB2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839144-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-12-05 US disclosed
US-20210217973-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues UNIV ARIZONA STATE (US) 2021-07-15 US disclosed
US-20210205291-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-07-08 US disclosed
US-11011712-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-05-18 US disclosed
US-20180226593-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-08-09 US disclosed
US-9941479-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-04-10 US disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed
US-9365614-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-06-14 US disclosed
US-20140336134-A1 IAP BIR Domain Binding Compounds PHARMASCIENCE INC. (CA) 2014-11-13 US disclosed
US-8765681-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2014-07-01 US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 US disclosed
US-7547724-B2 IAP BIR domain binding compounds AEGERA THERPEUTICS, INC. 2009-06-16 US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 US disclosed
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates PHARMASCIENCE INC. (CA) 2008-08-28 US disclosed
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents AEGERA THERAPEUTICS, INC. (CA) 2008-03-20 US disclosed
US-20080014207-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2008-01-17 US disclosed
US-20070219140-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180226593-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues DPYD, DCTD, TYMP PTGS2 3525/4885KMT2A 3281/4885TP53 260/4885
US-11011712-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues DPYD, DCTD, TYMP PTGS2 3525/4885KMT2A 3281/4885TP53 260/4885
US-20070093429-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 PTGS2 3826/4885KMT2A 4686/4885TP53 18/4885
US-20080014207-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 PTGS2 3826/4885KMT2A 4686/4885TP53 18/4885
US-20210217973-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues DPYD, DCTD, TYMP PTGS2 3525/4885KMT2A 3281/4885TP53 260/4885
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX PTGS2 3438/4885KMT2A 4730/4885TP53 22/4885
US-20140336134-A1 IAP BIR Domain Binding Compounds BIRC2, BIRC7, BIRC5 PTGS2 3762/4885KMT2A 4496/4885TP53 78/4885
US-20070219140-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC8 PTGS2 3813/4885KMT2A 4661/4885TP53 20/4885
US-20080069812-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents BIRC5, XIAP, BIRC2 PTGS2 3176/4885KMT2A 4399/4885TP53 14/4885
US-20210205291-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION NNT, NAPRT, NAT1 PTGS2 614/4885KMT2A 3374/4885TP53 3581/4885
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 PTGS2 4275/4885KMT2A 3594/4885TP53 7/4885
US-11839144-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues DPYD, DCTD, TYMP PTGS2 3525/4885KMT2A 3281/4885TP53 260/4885
US-20080207525-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; bioavailability; coupling; chemical intermediates BIRC5, XIAP, BAX PTGS2 3036/4885KMT2A 4542/4885TP53 12/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.