SCHEMBL4586776

SCHEMBL4586776

NCC(O)COc1ccc(N)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
CASP1 P29466 1/20 0.49
HTT P42858 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
ALOX15 P16050 1/20 0.47
NR2E1 Q9Y466 1/20 0.47
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.41
KCNH2 Q12809 1/20 0.40
PRSS1 P07477 5/20 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
Hydrochloric Acid SCHEMBL10494888 0.98 GAA (0.51) ALDH1A1GAAKMT2AUSP2KDM4E
SCHEMBL11151986 0.91 GAA (0.53) ALDH1A1GAAKMT2AUSP2KDM4E
Hydrochloric Acid SCHEMBL11155467 0.88 GAA (0.54) ALDH1A1GAAKMT2AUSP2KDM4E
SCHEMBL462467 0.86 KDM4E (0.49) ALDH1A1GAAKMT2AUSP2KDM4E
SCHEMBL10494910 0.86 ALOX15 (0.47) ALDH1A1GAAKMT2AUSP2KDM4E
SCHEMBL11150521 0.85 GAA (0.55) ALDH1A1GAAKMT2AUSP2KDM4E
Hydrochloric Acid SCHEMBL10494922 0.85 ALOX15 (0.50) ALDH1A1GAAKMT2AUSP2KDM4E
Hydrochloric Acid SCHEMBL11357598 0.85 KDM4E (0.51) ALDH1A1GAAKMT2AUSP2KDM4E
SCHEMBL5712797 0.84 MAPT (0.53) ALDH1A1GAAKMT2AUSP2KDM4E
Hydrochloric Acid SCHEMBL11158509 0.84 GAA (0.58) ALDH1A1GAAKMT2AUSP2KDM4E

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
US-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2016-10-27 US disclosed
US-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2016-10-27 US disclosed
WO-2015086676-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2015-06-18 WO disclosed
EP-1353638-A4 NOVEL COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G CLAIROL INC (US) 2008-12-03 EP disclosed
US-6908493-B2 Couplers for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY (US) 2005-06-21 US disclosed
US-20040205909-A1 Novel couplers for use in oxidative hair dyeing THE PROCTER & GAMBLE COMPANY 2004-10-21 US disclosed
US-6765093-B2 4-(3-AMINO-2-HYDROXYPROPOXY)-M-PHENYLENEDIAMINE COUPLERS; 3-AMINO GROUP IS OPTIONALLY SUBSTITUTED THE PROCTER & GAMBLE COMPANY 2004-07-20 US disclosed
EP-1359888-A1 COUPLERS FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
EP-1353638-A1 NOVEL COUPLERS FOR USE IN OXIDATIVE HAIR DYEING Clairol Incorporated (US) 2003-10-22 EP disclosed
US-20020144700-A1 Couplers for oxidative coloration of hair CLAIROL INCORPORATED 2002-10-10 US disclosed
US-20020138919-A1 Novel couplers for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2002-10-03 US disclosed
WO-2002058656-A1 NOVEL COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P&G - CLAIROL, INC. (US) 2002-08-01 WO disclosed
WO-2002058659-A1 COUPLERS FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-08-01 WO disclosed
US-4888025-A 1-PHENOXY-3-AMINOPROPAN-2-OL L'OREAL (FR) 1989-12-19 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 (4 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-20020138919-A1 Novel couplers for use in oxidative hair dyeing CBR1, CBR3, MT-CO1 ALDH1A1 14/4885GAA 4701/4885KMT2A 1962/4885
US-20160310383-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT KRT18, VIM, SORD ALDH1A1 1145/4885GAA 4553/4885KMT2A 1695/4885
US-20040205909-A1 Novel couplers for use in oxidative hair dyeing CBR1, CBR3, MT-CO1 ALDH1A1 14/4885GAA 4701/4885KMT2A 1962/4885
US-20020144700-A1 Couplers for oxidative coloration of hair CBR1, CBR3, MT-CO1 ALDH1A1 37/4885GAA 4787/4885KMT2A 2657/4885

“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.