SCHEMBL6287853

SCHEMBL6287853

Nc1cc2c(cc1C(=O)O)[nH]c1ccnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 3/20 0.36
GFER P55789 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM6B O15054 1/20 0.34

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
SCHEMBL2267411 0.75 ALDH1A1 (0.46) KDM4EKMT2ATDP1APEX1ALDH1A1
SCHEMBL2272351 0.71 ADORA3 (0.36) KDM4EKMT2AGFERRXFP1TDP1
SCHEMBL11317347 0.63 IDO1 (0.46) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL987442 0.62 IDO1 (0.62) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL960542 0.61 KDM4E (0.39) KDM4EKMT2AMAPTALDH1A1HSD17B10
SCHEMBL1553594 0.61 IDO1 (0.60) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL29069489 0.61 IDO1 (0.60) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL9698991 0.59 IDO1 (0.58) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL1552376 0.59 IDO1 (0.58) IDO1KDM4EKMT2AGFERRXFP1
SCHEMBL25247945 0.59 CHEK1 (0.61) IDO1KDM4EKMT2AGFERRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923929-B1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS OXIDATION AGENTS, AND DYEING METHOD; PYRAZOLOAZOLES OREAL (FR) 2004-05-12 EP claimed
US-20020152558-A1 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles L'OREAL 2002-10-24 US claimed
US-6379397-B2 CAPABLE OF GENERATING INTENSE COLORINGS IN VARIED SHADES L'OREAL S.A. (FR) 2002-04-30 US claimed
US-6855827-B2 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles L'ORÉAL (FR) 2005-02-15 US disclosed
US-20020152558-A1 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles L'OREAL 2002-10-24 US disclosed
US-6379397-B2 CAPABLE OF GENERATING INTENSE COLORINGS IN VARIED SHADES L'OREAL S.A. (FR) 2002-04-30 US disclosed
US-20020007520-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBERS COMPRISING PYRAZOLOAZOLES; THEIR USE IN DYEING AS OXIDATION BASE AND DYEING PROCESS; AND NOVEL PYRAZOLOAZOLES L'OREAL S.A. (FR) 2002-01-24 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-20020007520-A1 COMPOSITIONS FOR DYEING KERATINOUS FIBERS COMPRISING PYRAZOLOAZOLES; THEIR USE IN DYEING AS OXIDATION BASE AND DYEING PROCESS; AND NOVEL PYRAZOLOAZOLES KRT18, ZYX, TUBB3 IDO1 2015/4885KDM4E 1907/4885KMT2A 1852/4885
US-20020152558-A1 Compositions for dyeing keratinous fibers comprising pyrazoloazoles; their use in dyeing as oxidation base and dyeing process; and novel pyrazoloazoles KRT18, ZYX, TUBB3 IDO1 2015/4885KDM4E 1907/4885KMT2A 1852/4885

“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.