SCHEMBL5657601

SCHEMBL5657601

CCCn1cnnc1CSc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 3/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B3 P37058 1/20 0.39
KEAP1 Q14145 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL5655700 0.82 ALDH1A1 (0.44) POLBRXFP1TDP1ALDH1A1MAPT
SCHEMBL5655550 0.81 CYP1A2 (0.32) RAB9ANPC1
SCHEMBL5657272 0.80 ALDH1A1 (0.44) POLBRXFP1TDP1ALDH1A1MAPT
SCHEMBL5657031 0.78 MAPT (0.48) POLBRXFP1TDP1ALDH1A1MAPT
SCHEMBL1492578 0.72 KDM4E (0.55) POLBRXFP1TDP1ALDH1A1MAPT
SCHEMBL5321709 0.72 TDP1 (0.57) POLBTDP1ALDH1A1MAPTKDM4E
SCHEMBL5657335 0.71 MAPT (0.49) POLBTDP1ALDH1A1MAPTRAB9A
SCHEMBL29900467 0.67 KDM4E (0.57) POLBTDP1ALDH1A1MAPTKDM4E
SCHEMBL11710551 0.67 KDM4E (0.57) POLBTDP1ALDH1A1MAPTKDM4E
SCHEMBL6103303 0.67 NPC1 (0.36) POLBALDH1A1MAPTRAB9ASMN1; SMN2

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 POLB 3578/4885RXFP1 1809/4885TDP1 3513/4885

“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.