SCHEMBL2198773

SCHEMBL2198773

NC(=O)Nc1[nH]c(-c2cccc(Cl)c2Cl)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
FFAR1 O14842 1/20 0.41
BRD4 O60885 4/20 0.41
JAK2 O60674 3/20 0.40
PARP1 P09874 1/20 0.40
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IKBKB O14920 2/20 0.38
NUDT1 P36639 1/20 0.38
SLC9A1 P19634 1/20 0.37
BTK Q06187 1/20 0.36
SCN9A Q15858 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MET P08581 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL2196975 0.89 IKBKB (0.47) KDM4EALDH1A1LMNAFFAR1BRD4
SCHEMBL4345702 0.82 BRD4 (0.47) KDM4EALDH1A1LMNAFFAR1BRD4
SCHEMBL2200763 0.80 JAK2 (0.47) KDM4EALDH1A1LMNABRD4JAK2
SCHEMBL2195873 0.79 BRD4 (0.47) KDM4EALDH1A1BRD4JAK2IKBKB
SCHEMBL2196845 0.78 CDC7 (0.51) FFAR1BRD4JAK2PARP1IKBKB
SCHEMBL2198463 0.78 BRD4 (0.52) FFAR1BRD4JAK2IKBKBBTK
SCHEMBL2198478 0.77 BRD4 (0.46) KDM4EALDH1A1BRD4
SCHEMBL2196489 0.77 IKBKB (0.52) KDM4EBRD4JAK2PARP1IKBKB
SCHEMBL13446750 0.76 BRD4 (0.39) BRD4JAK2PARP1IKBKBJAK3
SCHEMBL13446706 0.76 BRD4 (0.37) BRD4JAK2PARP1IKBKBJAK3

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 9 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-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
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
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 KDM4E 669/4885ALDH1A1 244/4885LMNA 4319/4885

“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.