SCHEMBL17014732

SCHEMBL17014732

C[C@H]1CCCN(c2nc(-c3ccc(O)cc3O)cs2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 10/20 0.50
AR P10275 1/20 0.46
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAP2K7 O14733 1/20 0.43
AMY1A P0DUB6 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
DNM1L O00429 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL18997368 1.00 TYR (0.50) TYRARALDH1A1RAB9ASMN1; SMN2
SCHEMBL19051356 0.86 SMN1; SMN2 (0.50) ARALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL18204089 0.82 TYR (0.58) TYRARALDH1A1RAB9ASMN1; SMN2
SCHEMBL16658465 0.78 ALDH1A1 (0.56) TYRARALDH1A1RAB9ASMN1; SMN2
SCHEMBL12296054 0.76 AR (0.76) ARALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL18204121 0.76 AR (0.54) TYRARALDH1A1RAB9ASMN1; SMN2
SCHEMBL18204066 0.75 AR (0.51) TYRARRAB9ASMN1; SMN2KDM4E
SCHEMBL10136897 0.74 L3MBTL1 (0.49) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL19051410 0.73 TYR (0.53) TYRALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2563583 0.73 ALDH1A1 (0.45) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1

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 TYR 1184/4885AR 1/4885ALDH1A1 1480/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB TYR 2752/4885AR 1/4885ALDH1A1 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.