SCHEMBL16230705

SCHEMBL16230705

CC(C)(C)C(O)(c1ccccn1)c1cnccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AHR P35869 2/20 0.36
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CHRM2 P08172 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2A6 P11509 1/20 0.33
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL16230664 0.88 SMN1; SMN2 (0.61) CYP19A1SMN1; SMN2L3MBTL1AHRKDM4E
SCHEMBL20362732 0.83 SMN1; SMN2 (0.52) CYP19A1SMN1; SMN2L3MBTL1AHRMAPT
SCHEMBL16231358 0.83 SMN1; SMN2 (0.52) CYP19A1SMN1; SMN2L3MBTL1AHRMAPT
SCHEMBL16132391 0.82 L3MBTL1 (0.47) CYP19A1SMN1; SMN2L3MBTL1AHRNPC1
SCHEMBL16230666 0.81 SMN1; SMN2 (0.46) CYP19A1SMN1; SMN2L3MBTL1KDM4ELMNA
SCHEMBL16132430 0.81 SMN1; SMN2 (0.46) CYP19A1SMN1; SMN2L3MBTL1AHRMAPT
SCHEMBL16230731 0.79 SMN1; SMN2 (0.55) CYP19A1SMN1; SMN2L3MBTL1AHRKDM4E
SCHEMBL21308429 0.79 SMN1; SMN2 (0.45) CYP19A1SMN1; SMN2L3MBTL1AHRMAPT
SCHEMBL18348346 0.79 SMN1; SMN2 (0.47) CYP19A1SMN1; SMN2L3MBTL1AHRCHRM2
SCHEMBL16230665 0.77 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1AHRKDM4ECHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2018-07-10 US disclosed
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-12-29 US disclosed
US-9458145-B2 Benzimidazole derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-10-04 US disclosed
US-20160075695-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2016-03-17 US disclosed
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 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 (4 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-10017501-B2 Benzimidazole derivatives as bromodomain inhibitors BRD4, BRD3, BRD1 CYP19A1 3054/4885SMN1; SMN2 3348/4885L3MBTL1 914/4885
US-20160075695-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CYP19A1 3270/4885SMN1; SMN2 3400/4885L3MBTL1 955/4885
US-20160376261-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CYP19A1 3054/4885SMN1; SMN2 3348/4885L3MBTL1 914/4885
US-20140336190-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CYP19A1 3136/4885SMN1; SMN2 3385/4885L3MBTL1 971/4885

“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.