SCHEMBL6659211

SCHEMBL6659211

CCc1oc2cccc(N)c2c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.37
ESR2 Q92731 1/20 0.37
TTR P02766 6/20 0.37
CD44 P16070 1/20 0.34
EYA3 Q99504 3/20 0.33
SLC22A12 Q96S37 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
PARP1 P09874 1/20 0.33
PIK3CA P42336 1/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 4/20 0.31
CYP2C9 P11712 4/20 0.31
MEN1 O00255 2/20 0.31
ABCB11 O95342 2/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL6654431 0.74 CD44 (0.43) ESR1ESR2CD44CYP3A4TSHR
SCHEMBL3872856 0.71 ALDH1A1 (0.43) ESR1ESR2CD44CYP3A4TSHR
SCHEMBL21963712 0.68 CYP3A4 (0.38) ESR1ESR2CD44CYP3A4TSHR
SCHEMBL23472749 0.66 ESR1 (0.30) ESR1ESR2
SCHEMBL21665556 0.65 CYP3A4 (0.48) ESR1ESR2CD44CYP3A4TSHR
SCHEMBL19142155 0.65 CD44 (0.48) ESR1ESR2CD44CYP3A4TSHR
SCHEMBL9740454 0.64 ALOX5 (0.57) TTREYA3SLC22A12MAPTCYP2C19
SCHEMBL7815658 0.63 CYP3A4 (0.40) CD44CYP3A4TSHRPARP1PIK3CA
SCHEMBL1917749 0.63 ELANE (0.39) PARP1ELANEKDM4EMAPTHSD17B10
SCHEMBL2337790 0.63 ALDH1A1 (0.50) CYP3A4TSHRKDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP 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-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 ESR1 3898/4885ESR2 3767/4885TTR 1266/4885

“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.