SCHEMBL3879102

SCHEMBL3879102

Cc1cc(N)c2c(c1O)c1ccccc1n2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
MAPT P10636 2/20 0.53
PKM P14618 1/20 0.51
ALKBH5 Q6P6C2 1/20 0.46
FTO Q9C0B1 1/20 0.46
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C19 P33261 1/20 0.43
PABPC1 P11940 1/20 0.42
NQO2 P16083 1/20 0.41
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 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
SCHEMBL3877123 0.84 KDM4E (0.56) KDM4EMAPTPKMALKBH5FTO
SCHEMBL27653184 0.81 KDM4E (0.46) KDM4EMAPTPKMALKBH5FTO
SCHEMBL27653183 0.81 RET (0.47) KDM4EMAPTPKMALKBH5FTO
SCHEMBL3874966 0.76 KDM4E (0.49) KDM4EMAPTALKBH5FTOHTT
SCHEMBL3874031 0.76 KDM4E (0.53) KDM4EMAPTALKBH5FTOHTT
SCHEMBL3873231 0.75 KDM4E (0.55) KDM4EMAPTALKBH5FTOALDH1A1
SCHEMBL3884393 0.74 KDM4E (0.46) KDM4EMAPTALKBH5FTOALDH1A1
SCHEMBL24211457 0.73 ALKBH5 (0.54) KDM4EMAPTPKMALKBH5FTO
SCHEMBL3874064 0.73 GPR3 (0.48) KDM4EMAPTALKBH5FTOHTT
SCHEMBL3881155 0.73 KDM4E (0.45) KDM4EMAPTALKBH5FTOALDH1A1

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
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

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 KDM4E 1549/4885MAPT 420/4885PKM 185/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885MAPT 420/4885PKM 185/4885

“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.