SCHEMBL5952401

SCHEMBL5952401

CCOc1ccc(N)cc1CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
KDM4E B2RXH2 3/20 0.59
GAA P10253 3/20 0.59
HSD17B10 Q99714 3/20 0.47
USP2 O75604 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
CREBBP Q92793 1/20 0.46
ALDH1A1 P00352 7/20 0.46
POLB P06746 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
HTT P42858 2/20 0.46
CASP1 P29466 1/20 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
SCHEMBL22493078 0.88 GAA (0.46) MAPTKDM4EGAAHSD17B10USP2
SCHEMBL5009932 0.85 MAPT (0.56) MAPTKDM4EGAAHSD17B10USP2
SCHEMBL28840079 0.83 SLC6A4 (0.45) MAPTKDM4EGAAUSP2TSHR
SCHEMBL10777187 0.83 MAPT (0.59) MAPTKDM4EGAAHSD17B10USP2
SCHEMBL11709568 0.82 GAA (0.49) MAPTKDM4EGAAUSP2L3MBTL1
SCHEMBL3003760 0.82 MAPT (0.57) MAPTKDM4EGAAUSP2TSHR
SCHEMBL112468 0.81 MAPT (0.78) MAPTKDM4EGAAHSD17B10USP2
SCHEMBL31095359 0.81 MAPT (0.78) MAPTKDM4EGAAHSD17B10USP2
SCHEMBL21558455 0.79 KDM4E (0.54) MAPTKDM4EGAAHSD17B10USP2
SCHEMBL28290641 0.79 KDM4E (0.54) MAPTKDM4EGAAHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013151593-A9 POST-TREATED SULFURIZED SALT OF AN ALKYL-SUBSTITUTED HYDROXYAROMATIC COMPOSITION CHEVRON ORONITE COMPANY LLC (US) 2013-11-28 WO disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP disclosed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
EP-1480605-B1 HAIR COLORING COMPOSITIONS BASED ON DIAMINOPYRAZOLE COMPOUNDS PROCTER & GAMBLE (US) 2008-04-09 EP disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO disclosed
EP-0093620-B1 FUNGICIDAL N-PHENYLCARBAMATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-01-07 EP disclosed
EP-0093620-A1 Fungicidal N-phenylcarbamates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-09 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 MAPT 3479/4885KDM4E 522/4885GAA 264/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAPT 4186/4885KDM4E 645/4885GAA 352/4885

“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.