SCHEMBL6286487

SCHEMBL6286487

Nc1c(C(=O)O)[nH]n2nc(-c3ccccc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.44
PARP1 P09874 1/20 0.44
GAA P10253 1/20 0.42
KMT2A Q03164 5/20 0.41
F2 P00734 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
CSNK1D P48730 2/20 0.39
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
ADORA2B P29275 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL6283331 0.80 KMT2A (0.41) DHODHPARP1GAAKMT2AF2
SCHEMBL6287772 0.78 NR1H2 (0.44) GAAKMT2ANR1H2NR1H3CSNK1D
SCHEMBL6286492 0.71 PIN1 (0.44) KMT2ANPSR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6287857 0.71 ADORA1 (0.45) DHODHPARP1GAAKMT2ACSNK1D
SCHEMBL6286086 0.71 CSNK1D (0.44) GAAKMT2ACSNK1DADORA1ADORA2A
SCHEMBL2265857 0.68 DHODH (0.43) DHODHPARP1GAAKMT2AF2
SCHEMBL2267557 0.65 ADORA2A (0.40) GAAKMT2AF2NPSR1NR1H2
SCHEMBL6283336 0.65 MEN1 (0.42) GAAKMT2ANPSR1ADORA1ADORA2A
SCHEMBL6288027 0.63 KMT2A (0.40) GAAKMT2ANPSR1ADORA1ADORA2A
SCHEMBL6287777 0.63 SMN1; SMN2 (0.41) KMT2AALDH1A1KDM4ESMN1; SMN2POLB

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-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 claimed
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 DHODH 663/4885PARP1 1213/4885GAA 4695/4885
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 DHODH 663/4885PARP1 1213/4885GAA 4695/4885

“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.