SCHEMBL17014739

SCHEMBL17014739

Clc1cn(-c2csc(N3CCOCC3)n2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 1.00
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.43

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
SCHEMBL19051377 0.86 AR (0.76) ARNPC1RAB9ASMN1; SMN2
SCHEMBL17014714 0.84 AR (1.00) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL20299007 0.81 AR (0.67) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL22263374 0.80 AR (0.66) ARNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17266277 0.77 AR (0.61) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL2499085 0.76 NPC1 (0.60) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17014742 0.76 AR (1.00) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL20299015 0.75 AR (0.60) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17014744 0.74 AR (1.00) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17014741 0.74 AR (0.77) ARNPC1RAB9ASMN1; SMN2MAPK1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200031848-A1 AR-V7 INHIBITORS HOFFMANN LA ROCHE (US) 2020-01-30 — — US claimed
EP-3555091-A1 AR-V7 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-10-23 — — EP claimed
WO-2018114781-A1 AR-V7 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-06-28 — — WO claimed
US-20200031848-A1 AR-V7 INHIBITORS HOFFMANN LA ROCHE (US) 2020-01-30 — — US disclosed
US-20200031848-A1 AR-V7 INHIBITORS HOFFMANN LA ROCHE (US) 2020-01-30 — — US disclosed
EP-3555091-A1 AR-V7 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2019-10-23 — — EP 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-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
WO-2018114781-A1 AR-V7 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-06-28 — — WO 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 (3 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-20200031848-A1 AR-V7 INHIBITORS AR, RB1, NR5A1 AR 1/4885NPC1 2126/4885RAB9A 974/4885
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 AR 1/4885NPC1 2934/4885RAB9A 4667/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB AR 1/4885NPC1 1960/4885RAB9A 4089/4885

“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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