SCHEMBL6397208

SCHEMBL6397208

SC1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
PDPK1 O15530 1/20 0.50
CYP11B2 P19099 1/20 0.47
RET P07949 1/20 0.43
HTR2A P28223 1/20 0.43
DRD2 P14416 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
HTR6 P50406 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL7834586 0.86 IDO1 (0.53) IDO1
SCHEMBL29533074 0.76 SLC18A3 (0.47) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL22882915 0.76 SLC18A3 (0.47) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL11671198 0.75 SRD5A1 (0.55) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL29263189 0.73 IDO1 (0.52) IDO1PDPK1CYP11B2RETHTR2A
Magnesium SCHEMBL31510119 0.73 SRD5A1 (0.53) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL10633202 0.73 IDO1 (0.52) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL8679389 0.73 IDO1 (0.52) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL10877517 0.73 HTR2C (0.62) HTR2ADRD2MAOB
SCHEMBL23343810 0.71 IDO1 (0.50) IDO1PDPK1CYP11B2RETHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021249449-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-12-16 WO disclosed
US-9312497-B2 Heterocyclic compound, organic light-emitting diode including the heterocyclic compound, and flat display device including the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-12 US disclosed
EP-1745015-B1 BICYCLIC AROMATIC SULFINYL DERIVATIVES CEPHALON INC (US) 2016-02-17 EP disclosed
US-8623521-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-01-07 US disclosed
US-20130001527-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-01-03 US disclosed
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 US disclosed
US-8314155-B2 Bicyclic aromatic sulfinyl derivatives CEPHALON, INC (US) 2012-11-20 US disclosed
US-8314155-B2 Bicyclic aromatic sulfinyl derivatives CEPHALON, INC (US) 2012-11-20 US disclosed
US-20090042907-A1 Bicyclic aromatic sulfinyl derivatives CEPHALON, INC. (US) 2009-02-12 US disclosed
US-20090042907-A1 Bicyclic aromatic sulfinyl derivatives CEPHALON, INC. (US) 2009-02-12 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0802914-B1 ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-06 EP disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
US-5965563-A NOVEL PURINE DERIVATIVES SUCH AS N6-(2-OXINDOL-5-YL) ADENINE, METHODS OF SYNTHESIZING THEM; USE AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1999-10-12 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
US-5686621-A Substituted hydrindanes for the treatment of angiogenesis-dependent diseases ALCON LABORATORIES, INC. (US) 1997-11-11 US disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
US-5464866-A Substituted hydrindanes for the treatment of angiogenesis-dependent diseases ALCON LABORATORIES, INC. (US) 1995-11-07 US disclosed
WO-1994004143-A1 SUBSTITUTED HYDRINDANES FOR THE TREATMENT OF ANGIOGENESIS-DEPENDENT DISEASES ALCON LABORATORIES, INC. (US) 1994-03-03 WO 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 (3 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-20130001527-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE DDT, DLD, PPOX IDO1 1147/4885PDPK1 1422/4885CYP11B2 616/4885
US-20090042907-A1 Bicyclic aromatic sulfinyl derivatives SULT2A1, TPST2, AHR IDO1 207/4885PDPK1 3714/4885CYP11B2 15/4885
US-20120326134-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D IDO1 1326/4885PDPK1 1213/4885CYP11B2 803/4885

“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.