SCHEMBL5656645

SCHEMBL5656645

Cc1cc([N+](=O)[O-])ccc1SCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 3/20 0.56
NPC1 O15118 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 3/20 0.47
APOBEC3A P31941 1/20 0.47
HTT P42858 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
PDE7A Q13946 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5655921 0.80 KMT2A (0.42) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL23092512 0.80 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2POLBKMT2A
SCHEMBL29900515 0.80 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2POLBKMT2A
SCHEMBL5659103 0.78 MAPT (0.53) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL5658228 0.77 CYP1A2 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5655669 0.76 KDM4E (0.65) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL29451817 0.76 POLB (0.49) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL6187801 0.75 KMT2A (0.51) ALDH1A1MAPTPOLBKMT2AAPOBEC3A
SCHEMBL7114203 0.75 ALDH1A1 (0.54) ALDH1A1MAPTNPC1MAPK1RAB9A
SCHEMBL4033959 0.74 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2POLBKMT2A

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 519/4885MAPT 3095/4885NPC1 2059/4885

“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.