SCHEMBL19051367

SCHEMBL19051367

COc1c(F)cc(CN)cc1-c1csc(N2CCCCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.57
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RAB9A P51151 5/20 0.39
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ PLAU P00749 2/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL19051368 0.83 AR (0.80) ARALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL17014770 0.79 AR (0.76) ARALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL19051361 0.78 AR (0.61) ARALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL19051372 0.77 AR (0.80) ARALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL17009409 0.72 AR (1.00) ARALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL19051363 0.72 AR (0.80) ARALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL17014740 0.71 AR (0.74) ARALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL13685397 0.70 RAB9A (0.68) ARALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL19051371 0.69 AR (0.50) ARSMN1; SMN2HSD17B10TP53ALOX15
SCHEMBL19051402 0.69 AR (0.61) ARALDH1A1SMN1; SMN2HSD17B10TP53

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 2 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-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

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 1/4885ALDH1A1 1480/4885MAPK1 3165/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB AR 1/4885ALDH1A1 2525/4885MAPK1 3915/4885

“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.

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