SCHEMBL2933227

SCHEMBL2933227

Cc1cc(NCCCCNc2ccc(N)c(C)c2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
RECQL P46063 1/20 0.50
HIF1A Q16665 1/20 0.50
TSHR P16473 1/20 0.45
HTT P42858 2/20 0.44
S100B P04271 1/20 0.44
ABL1 P00519 1/20 0.44
SKP2 Q13309 1/20 0.43
PRSS1 P07477 5/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
F2 P00734 2/20 0.39
PRSS2 P07478 2/20 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
SCHEMBL6369975 0.98 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL6369929 0.98 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1THRBALOX15
Hydrochloric Acid SCHEMBL4954707 0.96 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1THRBALOX15
Hydrochloric Acid SCHEMBL4949443 0.96 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL6376391 0.96 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1THRBALOX15
Hydrochloric Acid SCHEMBL4952474 0.94 ALDH1A1 (0.51) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL2126641 0.92 CYP3A4 (0.53) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL205604 0.91 ABL1 (0.56) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4863422 0.91 ALDH1A1 (0.73) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL10406890 0.91 ABL1 (0.56) ALDH1A1CYP3A4TDP1THRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1739084-B1 Double para-phenylenediamines joined by a linker comprising a saturated cyclic radical and use thereof as dyeing agents OREAL (FR) 2010-09-15 EP disclosed
US-7422609-B2 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers L'OREAL S.A. (FR) 2008-09-09 US disclosed
US-7413580-B2 Double para-phenylenediamines joined by a linker arm substituted with one or more carboxylic radicals and/or derivatives and use in dyeing L'OREAL S.A. (FR) 2008-08-19 US disclosed
EP-1739074-B1 Novel double para-phenylenediamines joined by a branched aliphatic group and use in dyeing OREAL (FR) 2008-03-12 EP disclosed
US-20070011825-A1 Novel double para-phenylenediamines joined by a linkage comprising a saturated cyclic radical and use in dyeing L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011828-A1 Novel double para-phenylenediamines joined by a branched aliphatic group and method of dyeing keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011824-A1 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011826-A1 Novel double para-phenylenediamines joined by a linker arm substituted with one or more carboxylic radicals and/or derivatives and use in dyeing L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739074-A1 Novel double para-phenylenediamines joined by a branched aliphatic group and use in dyeing L'OREAL (FR) 2007-01-03 EP disclosed
EP-1739085-A1 Cosmetic composition containing a double para-phenylenediamines joined by an aromatic group and use in dyeing L'OREAL (FR) 2007-01-03 EP disclosed
EP-1739079-A1 Novel bis-para-phenylendiamins joined by a linker arm comprising a sulphur or nitrogen atom and their use in dyeing L'OREAL (FR) 2007-01-03 EP disclosed
EP-1739076-A1 Novel BIS para-phenylenediamines joined by a linker arm substituted with one or more carboxylic radicals and/or derivatives and use in dyeing L'OREAL (FR) 2007-01-03 EP disclosed
EP-1739084-A1 Double para-phenylenediamines joined by a linker comprising a saturated cyclic radical and use thereof as dyeing agents L'OREAL (FR) 2007-01-03 EP disclosed
EP-1739075-A1 Novel double para-phenylenediamines joined by a linker arm substituted with one or more hydroxyl, alkoxy and/or amino groups and use in dyeing L'OREAL (FR) 2007-01-03 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 (6 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-20070011828-A1 Novel double para-phenylenediamines joined by a branched aliphatic group and method of dyeing keratin fibers KRT18, CDC73, DSP ALDH1A1 976/4885CYP3A4 3719/4885TDP1 2217/4885
US-20070011829-A1 Novel double para-phenylenediamines joined by a linkage comprising an atom chosen from sulphur and nitrogen and method for dyeing keratinous fibers KRT18, DSP, CDC73 ALDH1A1 798/4885CYP3A4 3949/4885TDP1 2060/4885
US-20070011824-A1 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers KRT18, CDC73, JUP ALDH1A1 127/4885CYP3A4 1046/4885TDP1 1242/4885
US-20070011826-A1 Novel double para-phenylenediamines joined by a linker arm substituted with one or more carboxylic radicals and/or derivatives and use in dyeing KRT18, DSP, CDC73 ALDH1A1 405/4885CYP3A4 3230/4885TDP1 1819/4885
US-20070011827-A1 Novel double para-phenylenediamines joined by a linker arm substituted with at least one group chosen from hydroxyl, alkoxy, and/or amino groups and method of dyeing keratinous fibers KRT18, PLOD3, DSP ALDH1A1 298/4885CYP3A4 2964/4885TDP1 1183/4885
US-20070011825-A1 Novel double para-phenylenediamines joined by a linkage comprising a saturated cyclic radical and use in dyeing KRT18, CDC73, AOC1 ALDH1A1 977/4885CYP3A4 3551/4885TDP1 1606/4885

“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.