SCHEMBL5658231

SCHEMBL5658231

Cc1ccc2ncc(CSc3ccc([N+](=O)[O-])cc3)n2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 1/20 0.41
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 9/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5 P09917 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
STAT3 P40763 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 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
SCHEMBL5655359 0.81 CYP1A2 (0.40) CYP1A2CYP2C9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5655256 0.81 PKM (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL5656598 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EACHEMAPT
SCHEMBL20125049 0.70 CYP1A2 (1.00) CYP1A2CYP2C9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28532263 0.70 MAPT (0.61) CYP1A2CYP2C9ALDH1A1SMN1; SMN2ACHE
SCHEMBL22300408 0.68 CYP1A2 (0.50) CYP1A2CYP2C9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4465794 0.68 CYP1A2 (0.54) CYP1A2CYP2C9ALDH1A1SMN1; SMN2ACHE
SCHEMBL21083369 0.67 TGFBR1 (0.51) CYP1A2CYP2C9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL859367 0.67 KDM4E (0.42) CYP1A2CYP2C9ALDH1A1KDM4EMAPT
SCHEMBL8934620 0.67 NPC1 (0.70) CYP1A2ALDH1A1SMN1; SMN2KDM4EHSD17B10

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 CYP1A2 6/4885CYP2C9 28/4885ALDH1A1 519/4885

“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.