SCHEMBL5657397

SCHEMBL5657397

Nc1ccc(SCc2ccccn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.54
RAB9A P51151 9/20 0.54
MAPT P10636 8/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
KDM4E B2RXH2 3/20 0.54
CYP1A2 P05177 2/20 0.49
CYP2E1 P05181 2/20 0.49
CYP2C8 P10632 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2B6 P20813 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
HRH1 P35367 1/20 0.49
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL23691408 0.81 NPC1 (0.60) NPC1RAB9AMAPTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10564648 0.79 NPC1 (0.58) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL3388873 0.78 L3MBTL1 (0.54) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL5648662 0.78 L3MBTL1 (0.48) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL6792327 0.78 HRH1 (0.62) KDM4ECYP1A2CYP2D6HRH1LMNA
SCHEMBL10533789 0.77 NPC1 (0.66) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL5655669 0.76 KDM4E (0.65) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL28573130 0.74 EHMT2 (0.65) NPC1RAB9AMAPTKDM4ECYP1A2
SCHEMBL5654637 0.74 L3MBTL1 (0.40) CYP1A2CYP2D6CYP2C19ALDH1A1L3MBTL1
SCHEMBL5659002 0.73 RAB9A (0.53) NPC1RAB9AMAPTSMN1; SMN2KDM4E

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 2546/4885MAPT 3095/4885

“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.