SCHEMBL7062983

SCHEMBL7062983

O=Cc1sc(N2CCOCC2)nc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
AR P10275 3/20 0.65
ALOX5 P09917 2/20 0.60
LMNA P02545 4/20 0.59
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 6/20 0.58
KDM4E B2RXH2 5/20 0.58
HTT P42858 4/20 0.58
MAPK1 P28482 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
POLB P06746 1/20 0.58
RECQL P46063 1/20 0.58
HPGD P15428 2/20 0.57
GAA P10253 2/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
PTGS2 P35354 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL27484530 0.81 ALDH1A1 (0.67) ALDH1A1ARALOX5LMNAMEN1
SCHEMBL8056967 0.80 AR (0.72) ALDH1A1ARALOX5LMNAMAPT
SCHEMBL4091068 0.79 ALDH1A1 (0.65) ALDH1A1ARLMNAKMT2AMAPT
SCHEMBL17009411 0.79 AR (1.00) ALDH1A1ARALOX5LMNAMAPT
SCHEMBL8419989 0.78 AR (0.65) ALDH1A1ARALOX5LMNAMEN1
SCHEMBL8823050 0.78 ALDH1A1 (0.79) ALDH1A1ARALOX5LMNAHTT
SCHEMBL17014756 0.76 AR (1.00) ALDH1A1ARALOX5LMNAMAPT
SCHEMBL10288312 0.74 ALDH1A1 (0.59) ALDH1A1ARALOX5LMNAMAPT
SCHEMBL2559774 0.74 ALDH1A1 (0.58) ALDH1A1ARMEN1KMT2AMAPT
SCHEMBL25932800 0.74 ALDH1A1 (0.71) ALDH1A1ARMAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1312986-A1 Magenta-colored toner particles for electrostatographic imaging NexPress Solutions LLC (US) 2003-05-21 EP disclosed
US-6528223-B1 Particle composition comprising binder polymer and specified dye having various substituents introduced into aromatic ring at thiazolyl 4-position, to avoid tendency toward dye crystallization NEXPRESS SOLUTIONS LLC 2003-03-04 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 (1 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-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB ALDH1A1 2525/4885AR 1/4885ALOX5 2888/4885

“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.