SCHEMBL856119

SCHEMBL856119

CCCCCCCCc1ccc(NCc2cccc(OC)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
ALDH1A1 P00352 3/20 0.62
GAA P10253 2/20 0.62
EPHX2 P34913 3/20 0.55
HIF1A Q16665 1/20 0.55
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
FFAR1 O14842 1/20 0.52
CHRM2 P08172 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FAAH O00519 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ABCB1 P08183 1/20 0.49

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
SCHEMBL854440 0.85 MAPT (0.60) MAPTALDH1A1GAAHIF1AKDM4E
SCHEMBL8956379 0.83 PPARG (0.61) EPHX2CHRM2PPARGPPARA
SCHEMBL9747684 0.83 PPARG (0.61) EPHX2CHRM2PPARGPPARA
SCHEMBL3297777 0.83 PPARG (0.61) EPHX2CHRM2PPARGPPARA
SCHEMBL17509808 0.83 PPARG (0.61) EPHX2CHRM2PPARGPPARA
SCHEMBL9796229 0.83 PPARG (0.61) EPHX2CHRM2PPARGPPARA
SCHEMBL10534527 0.83 PPARG (0.61) EPHX2CHRM2PPARGPPARA
SCHEMBL3477833 0.83 PPARG (0.61) EPHX2CHRM2PPARGPPARA
SCHEMBL4817193 0.81 CHRM2 (0.63) CHRM2L3MBTL1PPARGPPARA
SCHEMBL19979477 0.81 MTNR1B (0.55) MAPTALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 MAPT 205/4885ALDH1A1 2416/4885GAA 3681/4885

“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.