SCHEMBL1949338

SCHEMBL1949338

c1csc(-c2c[nH]cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
CASP1 P29466 1/20 0.44
MAPK10 P53779 1/20 0.44
CASP7 P55210 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL1781579 0.68 KDM4E (0.56) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL22815278 0.68 PDPK1 (0.32) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL219657 0.68 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL498897 0.67 KDM4E (1.00) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL30596386 0.67 KDM4E (0.61) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL36011 0.67 KDM4E (0.61) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL12608094 0.67 MEN1 (0.54) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL14334477 0.67 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL2710465 0.67 KDM4E (0.48) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL3545 0.67 L3MBTL1 (0.57) KDM4EALDH1A1HPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
CN-102083429-B Ido inhibitors NEWLINK GENETICS 2014-05-28 CN disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
WO-2006046112-A2 KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-04 WO disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
CN-1016309-B BIOLOGICAL LETHAL AGENT COMPOSITION ISHIHARA SANGYO KAISHA (JP) 1992-04-22 CN disclosed
CN-88101228-A Imidazolium compounds and the biocides that contains this compound that is used for controlling harmful organism 1988-12-07 CN disclosed
US-4524123-A POLYETHERSILOXANE COPOLYMERS, HIGH MOLECULAR WEIGHT POLYETHYLEN, AND EMULSIFIER AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-06-18 US disclosed
US-4524123-A POLYETHERSILOXANE COPOLYMERS, HIGH MOLECULAR WEIGHT POLYETHYLEN, AND EMULSIFIER AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1985-06-18 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 (5 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885ALDH1A1 2549/4885HPGD 2504/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885ALDH1A1 2549/4885HPGD 2504/4885
US-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT KDM4E 271/4885ALDH1A1 983/4885HPGD 305/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT KDM4E 271/4885ALDH1A1 983/4885HPGD 305/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 KDM4E 1358/4885ALDH1A1 2482/4885HPGD 2843/4885

“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.