SCHEMBL17014767

SCHEMBL17014767

c1cc(-c2csc(N3CCCCC3)n2)cs1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.74
SMN1; SMN2 Q16637 5/20 0.68
TP53 P04637 2/20 0.68
ALOX15 P16050 1/20 0.68
HSD17B10 Q99714 1/20 0.68
RAB9A P51151 9/20 0.64
NPC1 O15118 7/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 4/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL17009413 0.85 AR (1.00) ARSMN1; SMN2HSD17B10RAB9ANPC1
SCHEMBL3004754 0.81 SMN1; SMN2 (1.00) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL19051389 0.81 AR (0.77) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL17266249 0.81 SMN1; SMN2 (1.00) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL18674671 0.79 AR (0.97) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL3771969 0.78 L3MBTL1 (0.76) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL2557793 0.78 RAB9A (1.00) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL12288921 0.78 RAB9A (1.00) ARSMN1; SMN2TP53ALOX15HSD17B10
Hydrochloric Acid SCHEMBL3770523 0.77 L3MBTL1 (0.74) ARSMN1; SMN2TP53ALOX15HSD17B10
Hydrochloric Acid SCHEMBL3765827 0.77 L3MBTL1 (0.74) ARSMN1; SMN2TP53ALOX15HSD17B10

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 4764/4885TP53 230/4885
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 4789/4885TP53 324/4885

“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.