SCHEMBL2199435

SCHEMBL2199435

NC(=O)Nc1[nH]c(-c2cc(Cl)ccc2OCCC(F)(F)F)cc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 3/20 0.40
SCN10A Q9Y5Y9 3/20 0.40
JAK2 O60674 6/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BRD4 O60885 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.36
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MRGPRX1 Q96LB2 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
NR4A2 P43354 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12509848 0.88 ALDH1A1 (0.37) SCN8ASCN10AJAK2BRD4MAPT
SCHEMBL2201027 0.88 HTR2C (0.39) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL2201731 0.87 JAK2 (0.40) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL2200789 0.86 MAPT (0.50) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL2198505 0.86 TP53 (0.40) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL13446749 0.85 JAK2 (0.41) JAK2NPC1RAB9ABRD4MEN1
SCHEMBL2202819 0.84 MEN1 (0.46) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL13685531 0.84 JAK2 (0.38) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL2200821 0.82 CSF1R (0.41) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL2196917 0.81 JAK2 (0.41) JAK2NPC1RAB9ABRD4MEN1

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 SCN8A 4012/4885SCN10A 2993/4885JAK2 256/4885

“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.