SCHEMBL17014755

SCHEMBL17014755

c1ccc(-c2csc(-c3ccccn3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.66
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 4/20 0.66
MAPK1 P28482 1/20 0.66
KMT2A Q03164 3/20 0.64
AR P10275 1/20 0.64
MAPT P10636 2/20 0.62
PKM P14618 1/20 0.62
GFER P55789 1/20 0.62
HSD17B10 Q99714 1/20 0.62
KDM4C Q9H3R0 1/20 0.62
CYP19A1 P11511 6/20 0.62
PDE10A Q9Y233 1/20 0.62
SREBF2 Q12772 2/20 0.56
NPC1 O15118 4/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HPGDS O60760 1/20 0.50

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
SCHEMBL1741719 0.87 CYP19A1 (0.79) RAB9AKDM4EALDH1A1MAPK1KMT2A
SCHEMBL4437345 0.87 CYP19A1 (0.72) RAB9AKDM4EALDH1A1MAPK1KMT2A
SCHEMBL23743236 0.87 CYP19A1 (0.72) RAB9AKDM4EALDH1A1MAPK1KMT2A
SCHEMBL4436213 0.87 SREBF2 (0.67) RAB9AKDM4EALDH1A1MAPK1KMT2A
SCHEMBL1741734 0.86 CYP19A1 (0.72) RAB9AKDM4EALDH1A1MAPK1KMT2A
Bromide SCHEMBL8052759 0.85 CYP19A1 (0.70) RAB9AKDM4EALDH1A1MAPK1KMT2A
SCHEMBL299048 0.85 RAB9A (0.58) RAB9AKDM4EALDH1A1MAPK1KMT2A
SCHEMBL23743263 0.85 CYP19A1 (0.73) RAB9AKDM4EALDH1A1MAPK1CYP19A1
SCHEMBL8040175 0.83 CYP19A1 (0.74) RAB9AKDM4EALDH1A1MAPK1KMT2A
SCHEMBL8315695 0.82 CYP19A1 (0.62) RAB9AKDM4EALDH1A1MAPK1KMT2A

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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 US disclosed
WO-2015120543-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAIN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-08-20 WO 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 (2 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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 RAB9A 4667/4885KDM4E 1638/4885ALDH1A1 1480/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB RAB9A 4089/4885KDM4E 1961/4885ALDH1A1 2525/4885

“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.