SCHEMBL3481372

SCHEMBL3481372

O=C(O)Cn1ccc2cc(Br)c(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.51
▸ PPARD Q03181 8/20 0.44
▸ PPARA Q07869 7/20 0.44
▸ PPARG P37231 4/20 0.44
▸ EGFR P00533 1/20 0.42
▸ GRIN2B Q13224 1/20 0.41
▸ HTR2A P28223 3/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ KRAS P01116 2/20 0.38
▸ KMO O15229 1/20 0.38
▸ NTSR1 P30989 1/20 0.38

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
SCHEMBL14485186 0.87 KMT2A (0.57) KMT2APPARDPPARAPPARGEGFR
SCHEMBL18912167 0.82 GRIN2B (0.52) KMT2APPARDPPARAPPARGGRIN2B
SCHEMBL20512455 0.81 ALDH1A1 (0.42) HTR2AHTR2CKRAS
SCHEMBL23519846 0.78 KMT2A (0.48) KMT2APPARDPPARAPPARGEGFR
SCHEMBL3481149 0.78 HTR2A (0.49) HTR2AHTR2CKMO
SCHEMBL14158772 0.77 ATM (0.47) HTR2AHTR2CKRASNTSR1
SCHEMBL16156155 0.76 KMT2A (0.60) KMT2APPARDPPARAPPARGGRIN2B
SCHEMBL26683806 0.76 KMT2A (0.60) KMT2APPARDPPARAPPARGEGFR
SCHEMBL418013 0.76 KMT2A (0.60) KMT2APPARDPPARAPPARGEGFR
SCHEMBL1576340 0.76 KMT2A (0.60) KMT2APPARDPPARAPPARGHTR2A

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-8394969-B2 Cyclic benzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME CORP. (US) 2013-03-12 — — US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 — — 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-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 KMT2A 2171/4885PPARD 295/4885PPARA 480/4885

“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