SCHEMBL5656371

SCHEMBL5656371

Cc1nnc(CSc2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MAPT P10636 7/20 0.45
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 1/20 0.41
PTK2 Q05397 1/20 0.40
PIK3CD O00329 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL3999696 0.77 MAPT (0.60) ALDH1A1LMNAHTTNCOA1NCOA3
SCHEMBL11353069 0.73 MAPT (0.47) ALDH1A1LMNAMAPTPOLBMEN1
SCHEMBL9411915 0.73 MAPT (0.41) ALDH1A1LMNAMAPTCYP2C19CYP1A2
SCHEMBL10503353 0.71 MAPT (0.42) ALDH1A1LMNAMAPTCYP2C19CYP1A2
SCHEMBL28532263 0.71 MAPT (0.61) ALDH1A1LMNAHTTMAPTCYP2C19
SCHEMBL5373176 0.70 MAPT (0.56) ALDH1A1LMNAHTTMAPTCYP2C19
SCHEMBL5263919 0.69 ALDH1A1 (0.45) ALDH1A1MAPTCYP2C19CYP1A2CYP2C9
SCHEMBL223767 0.69 MAPT (0.65) ALDH1A1LMNAHTTMAPTNPC1
SCHEMBL2026375 0.69 MAPT (0.51) ALDH1A1LMNAHTTMAPTPOLB
SCHEMBL5657158 0.69 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPOLBMEN1

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 ALDH1A1 519/4885LMNA 753/4885HTT 3606/4885

“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.