SCHEMBL16713333

SCHEMBL16713333

COC(=O)c1ccc2c(c1)ncn2Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.49
▸ FGFR1 P11362 1/20 0.46
▸ PPARG P37231 5/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.44
▸ ACHE P22303 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BRS3 P32247 1/20 0.41

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
SCHEMBL16713343 0.93 BRD4 (0.53) BRD4HDAC1HDAC6NR1H4ACHE
SCHEMBL16713328 0.92 NR1H4 (0.51) PPARGHDAC1HDAC6NR1H4ACHE
SCHEMBL8393383 0.86 CYP11B1 (0.54) PPARGHDAC1HDAC6NR1H4ACHE
SCHEMBL16713329 0.86 PPARG (0.49) PPARG
SCHEMBL16713344 0.85 PPARG (0.69) PPARG
SCHEMBL16713349 0.84 NR1H4 (0.51) BRD4PPARGHDAC1HDAC6NR1H4
SCHEMBL28559641 0.84 HCAR3 (0.50) PPARGACHESMN1; SMN2
SCHEMBL14121083 0.82 PPARG (0.56) PPARGHDAC1HDAC6ACHE
SCHEMBL7814456 0.81 FGFR1 (0.64) BRD4FGFR1PPARGHDAC1HDAC6
SCHEMBL16125422 0.80 AGTR1 (0.44) PPARGHDAC1HDAC6ACHEBRS3

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 BRD4 11/4885FGFR1 113/4885PPARG 2/4885

“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.

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