SCHEMBL856089

SCHEMBL856089

CCc1ccc(NCc2ccc(CN(C)C)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.62
▸ ALDH1A1 P00352 4/20 0.62
▸ MAPT P10636 4/20 0.62
▸ ALOX15 P16050 4/20 0.62
▸ HSD17B10 Q99714 4/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ HPGD P15428 4/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ MAPK1 P28482 3/20 0.62
▸ POLB P06746 2/20 0.62
▸ ALOX12 P18054 2/20 0.62
▸ CASP1 P29466 2/20 0.62
▸ BLM P54132 2/20 0.62
▸ APAF1 O14727 1/20 0.62
▸ USP2 O75604 1/20 0.62
▸ CXCR4 P61073 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ NPC1 O15118 3/20 0.46

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
SCHEMBL8060137 0.86 MEN1 (0.80) GAAALDH1A1MAPTALOX15HSD17B10
SCHEMBL10050868 0.82 HRH3 (0.67) ALDH1A1HPGDPOLBHRH3KDM4E
SCHEMBL855663 0.81 ALDH1A1 (0.64) GAAALDH1A1MAPTALOX15HSD17B10
SCHEMBL15219075 0.80 HRH3 (0.54) GAAALDH1A1MAPTALOX15HSD17B10
Hydrochloric Acid SCHEMBL21821247 0.80 HRH3 (0.64) ALDH1A1HPGDPOLBHRH3KDM4E
SCHEMBL4592466 0.79 MAPT (0.69) GAAALDH1A1MAPTALOX15HSD17B10
SCHEMBL856236 0.79 POLB (0.69) GAAALDH1A1MAPTALOX15HSD17B10
SCHEMBL11935856 0.77 GAA (0.67) GAAALDH1A1MAPTALOX15HSD17B10
SCHEMBL15474335 0.76 MEN1 (0.66) GAAALDH1A1MAPTALOX15HSD17B10
SCHEMBL23512760 0.76 HRH3 (0.81) ALDH1A1HRH3TSHR

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 GAA 3681/4885ALDH1A1 2416/4885MAPT 205/4885

“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.

Send feedback