SCHEMBL2201065

SCHEMBL2201065

NC(=O)Nc1[nH]c(-c2ccccc2OCCN2CCCC2)cc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
GAA P10253 1/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD3 P35462 1/20 0.47
CHEK1 O14757 1/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MCHR1 Q99705 1/20 0.43
HTR1A P08908 1/20 0.43
CHUK O15111 1/20 0.43
INSR P06213 1/20 0.43

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
SCHEMBL2198991 0.99 KDM4E (0.53) KDM4ESMN1; SMN2KMT2AMEN1GAA
SCHEMBL2199670 0.95 ALDH1A1 (0.53) KDM4ESMN1; SMN2KMT2AMEN1GAA
SCHEMBL2199686 0.92 KDM4E (0.47) KDM4ESMN1; SMN2KMT2AMEN1GAA
SCHEMBL2199389 0.91 KDM4E (0.54) KDM4EALDH1A1L3MBTL1POLBCHUK
SCHEMBL4342927 0.90 BRD4 (0.40) KDM4ESMN1; SMN2KMT2AMEN1GAA
SCHEMBL2200419 0.89 KDM4E (0.57) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL2201886 0.89 HTR2A (0.45) KDM4ESMN1; SMN2KMT2AMEN1GAA
SCHEMBL2200461 0.86 HTR2C (0.48) KDM4ESMN1; SMN2CHEK1LMNA
SCHEMBL4344535 0.86 USP2 (0.55) KDM4ESMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL2199759 0.83 CHRM3 (0.45)

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 13 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 claimed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US claimed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US claimed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP claimed
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 669/4885SMN1; SMN2 4704/4885KMT2A 4098/4885

“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.