SCHEMBL5655099

SCHEMBL5655099

O=[N+]([O-])c1ccc(CCCn2ccnc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.84
KMT2A Q03164 1/20 0.84
TBXAS1 P24557 2/20 0.60
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
QPCT Q16769 1/20 0.58
HMOX1 P09601 1/20 0.57
KCNJ1 P48048 1/20 0.54

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
Hydrochloric Acid SCHEMBL9663692 0.94 CYP19A1 (0.80) CYP19A1KMT2ATBXAS1MAOAMAOB
SCHEMBL9663626 0.91 CYP19A1 (1.00) CYP19A1KMT2ATBXAS1MAOAMAOB
Hydrochloric Acid SCHEMBL9663915 0.90 CYP19A1 (0.97) CYP19A1KMT2ATBXAS1MAOAMAOB
SCHEMBL5659339 0.82 KCNJ1 (0.59) CYP19A1KMT2AMAOAKCNJ1
SCHEMBL78081 0.82 CYP19A1 (1.00) CYP19A1KMT2ATBXAS1QPCT
SCHEMBL2749846 0.81 CYP19A1 (0.57) CYP19A1KMT2ATBXAS1
SCHEMBL5189230 0.81 QPCT (0.69) CYP19A1KMT2AMAOAMAOBQPCT
SCHEMBL6642525 0.81 QPCT (0.64) CYP19A1KMT2ATBXAS1QPCT
SCHEMBL12045347 0.80 HMOX1 (0.84) CYP19A1KMT2ATBXAS1HMOX1
SCHEMBL19925993 0.80 NOS1 (0.65) CYP19A1KMT2AQPCT

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 4 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
US-4006243-A FUNGICIDE, BACTERICIDE, YEAST SCHERING AKTIENGESELLSCHAFT (DT) 1977-02-01 US 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 CYP19A1 86/4885KMT2A 391/4885TBXAS1 645/4885

“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.