SCHEMBL14907942

SCHEMBL14907942

NCc1ccccc1-c1cscn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.46
IDO1 P14902 3/20 0.40
TDO2 P48775 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CASP6 P55212 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT1 Q99873 1/20 0.38
METAP2 P50579 2/20 0.38
METAP1 P53582 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1800346 0.76 ALDH1A1 (0.46) IDO1TDO2MAPTMETAP2METAP1
SCHEMBL4518539 0.73 LMNA (0.53) IDO1TDO2MAPTNPSR1CASP6
Bromide SCHEMBL7959477 0.73 ALDH1A1 (0.43) IDO1TDO2MAPTMETAP2METAP1
Hydrochloric Acid SCHEMBL6765946 0.73 ALDH1A1 (0.43) IDO1TDO2MAPTMETAP2METAP1
SCHEMBL3790206 0.72 KDM4E (0.50) DPP4TDO2MAPTMETAP1KDM4E
SCHEMBL29496884 0.72 KDM4E (0.50) DPP4TDO2MAPTMETAP1KDM4E
SCHEMBL4533675 0.72 METAP2 (0.46) IDO1TDO2MAPTMETAP2METAP1
SCHEMBL11815358 0.72 IDO1 (0.46) IDO1TDO2MAPTNPSR1CASP6
SCHEMBL4515967 0.72 CYP19A1 (0.47) IDO1TDO2METAP2METAP1KDM4E
SCHEMBL2789458 0.72 CYP19A1 (0.47) IDO1TDO2MAPTCASP6METAP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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 (1 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B DPP4 2185/4885IDO1 1306/4885TDO2 1835/4885

“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.