SCHEMBL453950

SCHEMBL453950

Nc1ccc(O)c(CNc2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
RAB9A P51151 1/20 0.46
ADRA2B P18089 1/20 0.43
EGFR P00533 1/20 0.43
LTA4H P09960 1/20 0.42
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
HTR2C P28335 1/20 0.41
SPR P35270 1/20 0.40

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
SCHEMBL5190758 0.86 SPR (0.52) KDM4ERAB9AADRA2BHDAC4MEF2D
SCHEMBL25442716 0.83 MEN1 (0.57) KDM4ERAB9AKMT2AALDH1A1MAPT
SCHEMBL7159240 0.82 EGFR (0.54) KDM4EEGFRKMT2AALDH1A1MAPT
SCHEMBL30520309 0.80 KDM4E (0.59) KDM4ERAB9ALTA4HKMT2AALDH1A1
SCHEMBL3254598 0.80 KDM4E (0.59) KDM4ERAB9ALTA4HKMT2AALDH1A1
SCHEMBL2991426 0.78 EGFR (0.62) ADRA2BEGFRALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL2990403 0.77 EGFR (0.61) EGFRALDH1A1MAPTTDP1PRKCI
Hydrochloric Acid SCHEMBL6516882 0.77 EGFR (0.53) EGFRALDH1A1MAPTTDP1
SCHEMBL7158020 0.75 CA12 (0.50) EGFRKMT2AALDH1A1MAPTGAA
SCHEMBL7160030 0.75 MAPT (0.68) KDM4EEGFRKMT2AALDH1A1MAPT

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 190 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1449276-A Primary intermediates for oxidative dyeing of hair P & G CLAIROL INC (US) 2003-10-15 CN claimed
EP-1331918-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR Clairol Incorporated (US) 2003-08-06 EP claimed
US-6562080-B2 2-arylaminomethyl-4-aminophenols; light fastness, fastness to shampooing, fastness to permanent wave treatment CLAIROL INCORPORATED 2003-05-13 US claimed
US-20020144355-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US claimed
WO-2002017866-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-03-07 WO claimed
US-12133906-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2024-11-05 US disclosed
US-20220409497-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2022-12-29 US disclosed
EP-3733827-A1 DELIVERY PARTICLES The Procter & Gamble Company (US) 2020-11-04 EP disclosed
EP-2563508-B1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-07-10 EP disclosed
EP-1642563-B1 Method of rapid hair dyeing NOXELL CORP (US) 2019-06-26 EP disclosed
US-20190142714-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-05-16 US disclosed
EP-1484048-B1 Hair colouring compositions NOXELL CORP (US) 2019-01-02 EP disclosed
EP-1331918-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR Clairol Incorporated (US) 2003-08-06 EP disclosed
US-6562080-B2 2-arylaminomethyl-4-aminophenols; light fastness, fastness to shampooing, fastness to permanent wave treatment CLAIROL INCORPORATED 2003-05-13 US disclosed
US-6540793-B1 Coupler for use in oxidative hair dyeing CLAIROL INCORPORATED 2003-04-01 US disclosed
CN-1396819-A Novel couplers for oxidative hair dyeing P & G CLAROR INC (US) 2003-02-12 CN disclosed
EP-1251822-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING Clairol Incorporated (US) 2002-10-30 EP disclosed
US-20020144355-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
WO-2002017866-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLAIROL, INC. (US) 2002-03-07 WO disclosed
WO-2001056538-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2001-08-09 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 (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-20220409497-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 KDM4E 4662/4885RAB9A 2130/4885ADRA2B 736/4885
US-20020144355-A1 Primary intermediates for oxidative coloration of hair CYC1, CBR1, CBR3 KDM4E 1002/4885RAB9A 4317/4885ADRA2B 1549/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 KDM4E 4662/4885RAB9A 2130/4885ADRA2B 736/4885
US-20190142714-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 KDM4E 4662/4885RAB9A 2130/4885ADRA2B 736/4885

“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.