SCHEMBL2201027

SCHEMBL2201027

NC(=O)Nc1[nH]c(-c2cc(Cl)ccc2OCCCF)cc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
JAK2 O60674 6/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BRD4 O60885 1/20 0.37
MAPT P10636 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 4/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2198505 0.90 TP53 (0.40) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL2201731 0.89 JAK2 (0.40) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL13446749 0.89 JAK2 (0.41) JAK2NPC1RAB9ABRD4ALDH1A1
SCHEMBL2200789 0.88 MAPT (0.50) HTR2CHTR2BJAK2NPC1RAB9A
SCHEMBL2199435 0.88 SCN8A (0.40) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL12509466 0.87 ALDH1A1 (0.41) JAK2BRD4MAPTHSD17B10ALDH1A1
SCHEMBL2199259 0.86 BRD4 (0.44) HTR2BBRD4MAPTALDH1A1KDM4E
SCHEMBL2202819 0.86 MEN1 (0.46) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL13685531 0.85 JAK2 (0.38) JAK2NPC1RAB9ABRD4MAPT
SCHEMBL2200821 0.84 CSF1R (0.41) JAK2NPC1RAB9ABRD4MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTR2C 2790/4885HTR2B 1869/4885JAK2 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.