SCHEMBL4949075

SCHEMBL4949075

COCCCCNc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PRSS1 P07477 7/20 0.42
ABCB11 O95342 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2B P18089 1/20 0.41
OPRD1 P41143 1/20 0.41
SCN5A Q14524 1/20 0.41
APP P05067 1/20 0.41
F2 P00734 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
TMPRSS6 Q8IU80 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
NR4A1 P22736 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40
PPARG P37231 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL4949519 0.98 PRSS1 (0.43) GAAMAPTPRSS1ABCB11CYP3A4
SCHEMBL4954456 0.98 PRSS1 (0.43) GAAMAPTPRSS1ABCB11CYP3A4
Hydrochloric Acid SCHEMBL4953761 0.96 PRSS1 (0.45) GAAMAPTPRSS1ABCB11CYP3A4
SCHEMBL11312557 0.94 KCNH3 (0.44) GAAMAPTPRSS1ABCB11CYP3A4
SCHEMBL128126 0.86 MAPT (0.47) GAAMAPTABCB11CYP3A4ADRA2B
Hydrochloric Acid SCHEMBL9680720 0.85 KCNH3 (0.49) GAAMAPTABCB11CYP3A4ADRA2B
Hydrochloric Acid SCHEMBL3337783 0.85 KCNH3 (0.49) GAAMAPTABCB11CYP3A4ADRA2B
SCHEMBL34107 0.84 PRSS1 (0.54) MAPTPRSS1CYP3A4APPF2
SCHEMBL21256829 0.83 MAPT (0.59) GAAMAPTABCB11CYP3A4ADRA2B
SCHEMBL6855659 0.83 ALDH1A1 (0.41) GAAMAPTPRSS1ABCB11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1568684-A1 para-phenylenediamines carrying an alkoxy group, dye composition, preparation methods and their use L'OREAL (FR) 2005-08-31 EP claimed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-7435267-B2 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-20060021158-A1 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof L'OREAL S.A. (FR) 2006-02-02 US disclosed
EP-1568684-A1 para-phenylenediamines carrying an alkoxy group, dye composition, preparation methods and their use L'OREAL (FR) 2005-08-31 EP disclosed
US-4204056-A Process and intermediates for preparing fiber-reactive phthalocyanine dyes CASSELLA AKTIENGESELLSCHAFT (DE) 1980-05-20 US disclosed
US-4191686-A FROM SULFONYL HALIDE SUBSTITUTED PARENT BY AMIDATION WITH AROMATIC DIAMINE, DIAZOTIZING, COUPLING TO KETO SUCCINIC ESTER, CYCLIZING, COUPLING TO REACTIVE MOIETY CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-04 US 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-20060021158-A1 Secondary para-phenylenediamines bearing an alkoxy group, dye composition comprising them, processes therefor and uses thereof KRT18, NOTUM, ALDH7A1 GAA 4529/4885MAPT 2001/4885PRSS1 904/4885

“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.