SCHEMBL16132385

SCHEMBL16132385

CC[C@H](O)C(O)(c1ccccn1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRM3 P20309 1/20 0.36
KCNA5 P22460 4/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
SCN5A Q14524 1/20 0.36
KCND3 Q9UK17 1/20 0.36
AHR P35869 1/20 0.35
CHRM2 P08172 1/20 0.35
HDAC6 Q9UBN7 3/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2D6 P10635 2/20 0.33

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
SCHEMBL16132406 0.85 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CHRM3KCNA5KCNJ5
SCHEMBL16132342 0.84 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM3KCNA5KCNJ5
SCHEMBL17490338 0.83 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM3KCNA5AHR
SCHEMBL18635601 0.83 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM3KCNA5AHR
SCHEMBL17487253 0.80 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1CHRM3AHRCHRM2
SCHEMBL16132426 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM3KCNA5AHR
SCHEMBL16132485 0.77 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM3KCNA5AHR
SCHEMBL17490349 0.75 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CHRM3KCNA5AHR
SCHEMBL17490360 0.73 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CHRM3KCNA5AHR
SCHEMBL16132343 0.73 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1CHRM3KCNA5AHR

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-9255089-B2 Benzimidazolone derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-02-09 US disclosed
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 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-20140296246-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.