SCHEMBL5655385

SCHEMBL5655385

Nc1ccc(SCc2cccnn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP2E1 P05181 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3388873 0.77 L3MBTL1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11729022 0.71 NPC1 (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5656519 0.71 NOS3 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11729430 0.70 NPC1 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL2399359 0.70
SCHEMBL19464518 0.70
SCHEMBL30354934 0.69 MAOB (0.49) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5654451 0.69 RAB9A (0.50) NPC1RAB9AMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11178536 0.69 LMNA (0.63) ALDH1A1CYP1A2CYP3A4SMN1; SMN2MAPT
SCHEMBL10858694 0.68 CYP1A2 (0.41) ALDH1A1CYP1A2CYP3A4TSHRL3MBTL1

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 2546/4885MEN1 729/4885

“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.