SCHEMBL3386295

SCHEMBL3386295

CC(C)n1ccc2cc(NC(=O)Oc3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.52
▸ GAA P10253 4/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 5/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ THRB P10828 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RAD51 Q06609 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MMP12 P39900 3/20 0.43
▸ MMP13 P45452 3/20 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
SCHEMBL1148608 0.84 NOTUM (0.56) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL4202829 0.82 TP53 (0.52) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL24969695 0.75 ALDH1A1 (0.63) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL30206829 0.75 ALDH1A1 (0.63) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL3386168 0.73 POLB (0.48) ALDH1A1MAPTHSD17B10CYP1A2POLB
SCHEMBL8063648 0.72 ALDH1A1 (0.82) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL2479024 0.71 ALDH1A1 (0.68) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL8048626 0.70 CYP1A2 (0.76) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL16000906 0.70 ALDH1A1 (0.64) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL13797610 0.70 ALDH1A1 (0.70) ALDH1A1GAAKMT2AMEN1LMNA

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
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 — — US disclosed
EP-1806141-B1 PAR-2 ANTAGONISTS KOWA CO (JP) 2010-12-01 — — EP disclosed
US-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
EP-1806355-A1 PROCESS FOR PRODUCTION OF (1,3-DISUBSTITUTED INDOLYL)- UREA DERIVATIVES, INTERMEDIATES THEREFOR, AND PROCESS FOR PRODUCTION OF THE INTERMEDIATES Kowa Company Ltd. (JP) 2007-07-11 — — EP disclosed
EP-1806141-A1 PAR-2 ANTAGONISTS Kowa Company, Ltd. (JP) 2007-07-11 — — 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 (2 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-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates WEE1, WASF2, IDO1 ALDH1A1 2230/4885GAA 3918/4885KMT2A 2676/4885
US-20090012006-A1 Par-2 Antagonists F2RL1, F2R, F2RL3 ALDH1A1 3389/4885GAA 3724/4885KMT2A 2113/4885

“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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