SCHEMBL16713345

SCHEMBL16713345

O=C(O)c1ccc2c(c1)ncn2Cc1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.54
▸ HDAC1 Q13547 2/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ IDO1 P14902 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ PABPC1 P11940 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ PPARG P37231 3/20 0.50
▸ HDAC8 Q9BY41 1/20 0.49
▸ HCAR3 P49019 2/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ PLA2G4A P47712 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MET P08581 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL8032078 0.88 PPARG (0.62) HDAC1HDAC6IDO1MEN1TP53
SCHEMBL14976924 0.85 BRD4 (0.54) HDAC1HDAC6IDO1PPARGHDAC8
SCHEMBL22533960 0.85 MEN1 (0.49) HDAC1HDAC6MEN1TP53PABPC1
SCHEMBL8038655 0.85 PPARG (0.64) HDAC1HDAC6MEN1TP53PABPC1
SCHEMBL29424692 0.84 HCAR3 (0.49) HDAC1HDAC6MEN1TP53PABPC1
SCHEMBL28720229 0.84 HCAR3 (0.49) HDAC1HDAC6MEN1TP53PABPC1
SCHEMBL14376804 0.82 HDAC6 (0.71) HDAC1HDAC6IDO1PPARGHDAC8
SCHEMBL22533786 0.82 TNF (0.48) PPARGHCAR3FGFR1PLA2G4AALDH1A1
Trifluoroacetic Acid SCHEMBL22533877 0.79 PPARG (0.44) HDAC1HDAC6MEN1TP53PABPC1
SCHEMBL1750364 0.78 HDAC1 (0.73) HDAC1HDAC6IDO1MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309227-B2 N-biphenylmethylbenzimidazole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-12 — — US disclosed
US-9309227-B2 N-biphenylmethylbenzimidazole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-12 — — US disclosed
US-9309227-B2 N-biphenylmethylbenzimidazole modulators of PPARG THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-12 — — US disclosed
US-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2015-05-21 — — US disclosed
US-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2015-05-21 — — US disclosed
US-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG SCRIPPS RESEARCH INSTITUTE, THE 2015-05-21 — — 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-20150141464-A1 N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG CDK5, PPARG, CDK5R1 PKM 1320/4885HDAC1 105/4885HDAC6 145/4885

“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.

Send feedback