SCHEMBL5655020

SCHEMBL5655020

O=[N+]([O-])c1ccc(SCCn2ccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.64
KMT2A Q03164 1/20 0.64
TP53 P04637 2/20 0.63
KDM4E B2RXH2 2/20 0.63
TSHR P16473 1/20 0.63
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
POLB P06746 1/20 0.55
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
QPCT Q16769 1/20 0.51
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL5657834 0.82 MAPT (0.52) CYP19A1KMT2ATP53KDM4ETSHR
SCHEMBL9663626 0.78 CYP19A1 (1.00) CYP19A1KMT2AMAOAMAOBQPCT
SCHEMBL5655088 0.78 TP53 (0.72) CYP19A1KMT2ATP53KDM4ETSHR
SCHEMBL76423 0.78 KMT2A (0.64) CYP19A1KMT2AKDM4EALDH1A1
SCHEMBL12045326 0.77 TP53 (0.71) CYP19A1KMT2ATP53KDM4ETSHR
Hydrochloric Acid SCHEMBL9663915 0.77 CYP19A1 (0.97) CYP19A1KMT2AMAOAMAOBQPCT
SCHEMBL6642525 0.77 QPCT (0.64) CYP19A1KMT2AKDM4EPOLBQPCT
Hydrochloric Acid SCHEMBL9996062 0.76 TP53 (0.69) CYP19A1KMT2ATP53KDM4ETSHR
SCHEMBL5655099 0.76 CYP19A1 (0.84) CYP19A1KMT2AMAOAMAOBQPCT
SCHEMBL19925993 0.76 NOS1 (0.65) CYP19A1KMT2AKDM4EQPCT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
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-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 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 391/4885TP53 4651/4885

“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.