SCHEMBL6287861

SCHEMBL6287861

Nc1c(C(=O)O)nn2c1N=C(c1ccccc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33

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
SCHEMBL6283300 0.80 KDM4E (0.33) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6283496 0.79 ALDH1A1 (0.37) KDM4ESMN1; SMN2NPC1RAB9ACYP2C9
SCHEMBL6288497 0.78 SMN1; SMN2 (0.39) KDM4ESMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL6279749 0.74 GAA (0.30)
SCHEMBL2268373 0.69 NPC1 (0.34) KDM4ENPC1RAB9AALDH1A1PTGS1
SCHEMBL2267730 0.68 RPA1 (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL6287859 0.67 TDP1 (0.34)
SCHEMBL2273233 0.65 MAPT (0.33) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6286486 0.61 PIN1 (0.45) KDM4ESMN1; SMN2HPGDALDH1A1PTGS1
SCHEMBL6287852 0.60 PIN1 (0.38) KDM4ESMN1; SMN2RAB9APTGS1PTGS2

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 6 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 KDM4E 1907/4885SMN1; SMN2 4865/4885NPC1 4587/4885

“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.