SCHEMBL2200910

SCHEMBL2200910

NC(=O)Nc1[nH]c(-c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
FFAR1 O14842 2/20 0.47
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CDC7 O00311 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MYOC Q99972 1/20 0.43
CHEK2 O96017 1/20 0.42
F13A1 P00488 1/20 0.40
PARP1 P09874 1/20 0.40
EIF4A1 P60842 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL13630723 0.86 ALDH1A1 (0.43) ALDH1A1CDC7MEN1KMT2AMAPT
SCHEMBL2198467 0.84 CDC7 (0.60) KDM4EALDH1A1CDC7MEN1KMT2A
SCHEMBL2203016 0.83 CDC7 (0.60) ALDH1A1CDC7MEN1KMT2AMAPT
SCHEMBL2198296 0.81 CDC7 (0.47) ALDH1A1CDC7MEN1KMT2AMAPT
SCHEMBL2198955 0.79 CDC7 (0.59) KDM4EALDH1A1CDC7RAB9ANPC1
SCHEMBL2197748 0.76 MAPT (0.48) KDM4EALDH1A1CDC7MEN1KMT2A
SCHEMBL2200000 0.73 IKBKB (0.51) CDC7PARP1
SCHEMBL2199605 0.73 PARP1 (0.47) KDM4EALDH1A1CDC7MEN1KMT2A
SCHEMBL1548263 0.73 MEN1 (0.45) KDM4EALDH1A1FFAR1CRHBPCRHR2
SCHEMBL2200529 0.73 CDC7 (0.40) KDM4EFFAR1CDC7RAB9ANPC1

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 KDM4E 669/4885ALDH1A1 244/4885FFAR1 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.