SCHEMBL17490349

SCHEMBL17490349

CCC(CC)C(C)(O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CHRM3 P20309 1/20 0.39
AHR P35869 2/20 0.38
CHRM2 P08172 1/20 0.38
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BLM P54132 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP2D6 P10635 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
PGR P06401 1/20 0.35
THRB P10828 1/20 0.35
ADRB3 P13945 1/20 0.35
OPRK1 P41145 1/20 0.35
PMP22 Q01453 1/20 0.35
PDE3A Q14432 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35

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
SCHEMBL17490360 0.84 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM3AHRCHRM2
SCHEMBL17490338 0.84 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM3AHRCHRM2
SCHEMBL18635601 0.84 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM3AHRCHRM2
SCHEMBL16132406 0.83 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM3AHRCHRM2
SCHEMBL26833410 0.79 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1CHRM3AHRCHRM2
SCHEMBL26833409 0.79 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1CHRM3AHRCHRM2
SCHEMBL12238622 0.79 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1CHRM3AHRCHRM2
SCHEMBL16132519 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM3AHRCHRM2
SCHEMBL16132503 0.77 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1CHRM3AHRCHRM2
SCHEMBL28599603 0.76 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM3AHRCHRM2

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
EP-2978759-B1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 SMN1; SMN2 3186/4885L3MBTL1 1346/4885CHRM3 2978/4885

“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.