SCHEMBL5657272

SCHEMBL5657272

CCCn1cncc1CSc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
HSD17B3 P37058 1/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5656048 0.80 CYP1A2 (0.32)
SCHEMBL5657601 0.80 POLB (0.44) ALDH1A1TDP1MAPTKDM4EPOLB
SCHEMBL5655700 0.79 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4EPOLB
SCHEMBL5655560 0.76 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL5655703 0.76 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EPOLBSMN1; SMN2
SCHEMBL5654306 0.76 HTT (0.46) ALDH1A1TDP1MAPTKDM4EPOLB
SCHEMBL5654308 0.76 MAPT (0.53) ALDH1A1TDP1MAPTKDM4EPOLB
SCHEMBL22534196 0.75 TSHR (0.37) ALDH1A1TDP1MAPTPOLBSMN1; SMN2
SCHEMBL5656026 0.75 PKM (0.44) ALDH1A1MAPTKDM4EPOLBSMN1; SMN2
SCHEMBL5655402 0.74 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EPOLBSMN1; 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 ALDH1A1 519/4885TDP1 3513/4885MAPT 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.