SCHEMBL4346512

SCHEMBL4346512

NC(=O)c1cc(-c2ccccc2OC(F)(F)F)[nH]c1N

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.49
MAP2 P11137 1/20 0.48
FFAR1 O14842 1/20 0.47
SCN9A Q15858 12/20 0.46
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL2200978 0.84 BRD4 (0.46) BRD4MAP2FFAR1SCN9ACYP2C9
SCHEMBL4339718 0.82 CDC7 (0.57) BRD4MAP2NPSR1
SCHEMBL4349024 0.80 PARP1 (0.50) BRD4FFAR1SCN9ASCN10A
SCHEMBL13446707 0.79 BRD4 (0.52) BRD4CYP3A4NPSR1
SCHEMBL4346833 0.77 CDC7 (0.54) BRD4FFAR1
SCHEMBL15391364 0.77 SCN9A (0.50) MAP2SCN9ACYP2C9CYP3A4CYP2D6
SCHEMBL13446626 0.77 BRD4 (0.50) BRD4CYP3A4
SCHEMBL4339152 0.75 BRD4 (0.52) BRD4FFAR1
SCHEMBL4343078 0.75 BRD4 (0.60) BRD4MAP2FFAR1
SCHEMBL12509462 0.74 BRD4 (0.49) BRD4

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
EP-2116530-B1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-14 EP disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP 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-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS UACA, IL6, IL6ST BRD4 497/4885MAP2 3274/4885FFAR1 558/4885

“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.