SCHEMBL5659002

SCHEMBL5659002

Nc1ccc(SCc2cccnc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
CHRNA7 P36544 1/20 0.50
LMNA P02545 1/20 0.48
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.46
DAO P14920 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP1A2 P05177 2/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
HRH1 P35367 2/20 0.41
CYP2D6 P10635 1/20 0.41
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL5648662 0.83 L3MBTL1 (0.48) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL5654451 0.79 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KDM4EHTT
SCHEMBL5658063 0.77 MAPT (0.61) RAB9ANPC1SMN1; SMN2KDM4EHTT
SCHEMBL5321360 0.74 MEN1 (0.57) RAB9ANPC1SMN1; SMN2HTTLMNA
SCHEMBL5321338 0.74 CXCR2 (0.47) RAB9ANPC1SMN1; SMN2KDM4EHTT
SCHEMBL5320880 0.74 L3MBTL1 (0.51) RAB9ANPC1SMN1; SMN2KDM4EHTT
SCHEMBL5657397 0.73 NPC1 (0.54) RAB9ANPC1SMN1; SMN2KDM4EHTT
Tasuldine SCHEMBL1813288 0.73 HSD17B10 (0.66) RAB9ANPC1SMN1; SMN2KDM4EHTT
SCHEMBL5654637 0.73 L3MBTL1 (0.40) HTTCYP1A2CYP2D6KMT2A
SCHEMBL5656661 0.73 HPGD (0.45) RAB9ANPC1SMN1; SMN2KDM4EHTT

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 RAB9A 2546/4885NPC1 2059/4885SMN1; 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.