SCHEMBL2200367

SCHEMBL2200367

CC(=O)c1cccc(Sc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ MAPK1 P28482 3/20 0.56
▸ MAPT P10636 6/20 0.53
▸ MAOB P27338 2/20 0.53
▸ MAOA P21397 1/20 0.53
▸ HPGD P15428 4/20 0.50
▸ MEN1 O00255 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CES2 O00748 2/20 0.45
▸ CES1 P23141 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PDE7A Q13946 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL6702285 0.87 TP53 (0.61) MAPK1MAPTHPGDMEN1KMT2A
SCHEMBL13265968 0.85 TSHR (0.62) ALDH1A1MAPK1MAPTHPGDMEN1
SCHEMBL14537799 0.85 ALDH1A1 (0.62) ALDH1A1MAPK1MAPTHPGDMEN1
SCHEMBL3197561 0.85 MEN1 (0.53) ALDH1A1MAPK1MAPTHPGDMEN1
SCHEMBL27957709 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1MAPTMAOBHPGD
SCHEMBL7143990 0.82 SMN1; SMN2 (0.65) ALDH1A1MAPK1MAPTHPGDMEN1
SCHEMBL13265854 0.82 CASP3 (0.54) ALDH1A1MAPTMAOAHPGDMEN1
SCHEMBL6948021 0.81 ALDH1A1 (0.69) ALDH1A1MAPTMAOBHPGDMEN1
SCHEMBL20591219 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1MAPTMAOBHPGD
SCHEMBL10620724 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1MAPTHPGDMEN1

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 ALDH1A1 244/4885MAPK1 793/4885MAPT 3737/4885

“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.

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