SCHEMBL5657944

SCHEMBL5657944

Nc1ccc(SCc2nccn2CCOC(=O)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 3/20 0.36
ALOX5 P09917 1/20 0.36
TSHR P16473 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4D Q08499 1/20 0.36
PHLPP2 Q6ZVD8 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOA P21397 2/20 0.34
CYP2D6 P10635 1/20 0.34
HTR3A P46098 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
SCHEMBL5657194 0.84 ADORA2B (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5657420 0.78 CCNE1 (0.38) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL5657940 0.77 ALDH1A1 (0.41) CYP2C9CYP2C19ALDH1A1MEN1GAA
SCHEMBL5657417 0.77 ESR1 (0.38) SMN1; SMN2ALDH1A1MEN1GAAKMT2A
SCHEMBL27983649 0.75 SMN1; SMN2 (0.48) SMN1; SMN2TDP1LMNATSHRALDH1A1
SCHEMBL3460377 0.74 TNF (0.48)
SCHEMBL5653814 0.74 TLR8 (0.39) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5657825 0.71 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2TSHRCYP1A2
SCHEMBL27758080 0.70 SMN1; SMN2 (0.56) SMN1; SMN2TDP1LMNAALDH1A1KMT2A
SCHEMBL5656323 0.69 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 NPC1 2059/4885RAB9A 2546/4885SMN1; SMN2 1174/4885

“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.