SCHEMBL17014752

SCHEMBL17014752

Nc1ccccc1-c1csc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 1.00
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MAPK1 P28482 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL19051398 0.86 AR (0.75) ARSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18674685 0.84 AR (0.73) ARSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17014763 0.83 AR (0.77) ARSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18674686 0.83 AR (0.74) ARSMN1; SMN2NPC1RAB9AMAPT
Bromide SCHEMBL10874774 0.83 AR (0.71) ARSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17014783 0.82 AR (0.71) ARSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL27413114 0.80 AR (0.67) ARSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL17014745 0.80 AR (0.74) ARSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6629014 0.80 AR (1.00) ARSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL12601866 0.77 AR (0.94) ARSMN1; SMN2NPC1RAB9AMAPT

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 AR 1/4885SMN1; SMN2 4764/4885NPC1 2934/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB AR 1/4885SMN1; SMN2 4789/4885NPC1 1960/4885

“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.