SCHEMBL7039004

SCHEMBL7039004

COCCOC1CN(c2ccc(N)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
GFER P55789 4/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAD52 P43351 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
ADRA2C P18825 1/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40
HTT P42858 2/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL24745829 0.81 PIK3CA (0.45) ACACBPIK3CAMTOR
SCHEMBL7035423 0.81 RAD52 (0.47) MAPTGAAKDM4ERAD52ALDH1A1
SCHEMBL7037508 0.77 MAPT (0.43) MAPTGFERGAAALDH1A1KMT2A
SCHEMBL24746474 0.76 CHRNB2 (0.38) ACACBLIPCLIPGPIK3CAMTOR
SCHEMBL17888570 0.75 MEN1 (0.39) MAPTGFERGAAKDM4ESMN1; SMN2
SCHEMBL13280086 0.74 OPRD1 (0.42) ACACB
SCHEMBL25900569 0.73 MAPT (0.40) MAPTGFERGAAKDM4ESMN1; SMN2
SCHEMBL19297613 0.73 LIPG (0.46) MAPTKDM4EKMT2ARECQLACACB
SCHEMBL2126264 0.71 KDM4E (0.38) MAPTGFERGAAKDM4ESMN1; SMN2
SCHEMBL2127940 0.70 KDM4E (0.35) MAPTGFERGAAKDM4ESMN1; SMN2

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-20030028976-A1 Compositions for dyeing keratinic fibres, containing paraphenylenediamine derivatives with an azetidinyl group L'OREAL S.A. (FR) 2003-02-13 US claimed
EP-1185236-A2 COMPOSITIONS FOR DYEING KERATINIC FIBRES, CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH AN AZETIDINYL GROUP L'OREAL (FR) 2002-03-13 EP claimed
WO-2001041724-A2 COMPOSITIONS FOR DYEING KERATINIC FIBRES, CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH AN AZETIDINYL GROUP L'OREAL (FR) 2001-06-14 WO claimed
US-20030028976-A1 Compositions for dyeing keratinic fibres, containing paraphenylenediamine derivatives with an azetidinyl group L'OREAL S.A. (FR) 2003-02-13 US disclosed
EP-1185236-A2 COMPOSITIONS FOR DYEING KERATINIC FIBRES, CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH AN AZETIDINYL GROUP L'OREAL (FR) 2002-03-13 EP disclosed
WO-2001041724-A2 COMPOSITIONS FOR DYEING KERATINIC FIBRES, CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH AN AZETIDINYL GROUP L'OREAL (FR) 2001-06-14 WO 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-20030028976-A1 Compositions for dyeing keratinic fibres, containing paraphenylenediamine derivatives with an azetidinyl group KRT18, CDC73, AOC1 MAPT 1146/4885GFER 1850/4885GAA 3236/4885

“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.