SCHEMBL3885246

SCHEMBL3885246

Nc1ccc2c(oc3ccccc32)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 2/20 0.46
NQO1 P15559 1/20 0.46
RAB9A P51151 1/20 0.46
PGR P06401 1/20 0.45
LIMK1 P53667 1/20 0.43
CYP2C19 P33261 1/20 0.42
AHR P35869 2/20 0.42
ALOX5 P09917 3/20 0.41
DDR2 Q16832 1/20 0.40
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
PGAM1 P18669 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
SCHEMBL20751935 0.81 KDM4E (0.46) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL3874697 0.81 PTGS2 (0.51) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL3878262 0.81 PTGS2 (0.51) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL3874752 0.80 ESR1 (0.38) KMT2AMAPTMEN1GAAHSD17B10
SCHEMBL13564032 0.80 AHR (0.52) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL1635471 0.80 AHR (0.52) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL30727466 0.80 ALDH1A1 (0.52) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL2342912 0.79 ALDH1A1 (0.48) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL17454823 0.78 DDR2 (0.46) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL31122328 0.78 DDR2 (0.46) KMT2AMAPTKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US disclosed
US-4948868-A GAS BARRIER; CONTAINERS MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1990-08-14 US disclosed
EP-0299689-A2 Polyamide and use thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-01-18 EP disclosed
US-4221709-A Azo pigments DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 1980-09-09 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 (2 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 KMT2A 1681/4885MAPT 420/4885KDM4E 1549/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KMT2A 1681/4885MAPT 420/4885KDM4E 1549/4885

“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.