SCHEMBL3859936

SCHEMBL3859936

Cc1cc(N)ccc1NC(CO)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE10A Q9Y233 1/20 0.42
RAD52 P43351 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CASP1 P29466 2/20 0.38
TSHR P16473 1/20 0.38
TNIK Q9UKE5 1/20 0.37
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
FYN P06241 1/20 0.35
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL3859541 0.98 MAPT (0.43) SIGMAR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4860836 0.92 FYN (0.44) SIGMAR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4854316 0.89 CYP1A2 (0.39) SIGMAR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4860025 0.89 TLR7 (0.40) SIGMAR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4860226 0.86 TLR8 (0.44) SIGMAR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4862775 0.84 SIGMAR1 (0.43) SIGMAR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14941288 0.83 MAPT (0.42) SIGMAR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4825569 0.83 CYP1A2 (0.41) SIGMAR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4862013 0.81 SIGMAR1 (0.41) SIGMAR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4862049 0.80 MAPT (0.40) SIGMAR1MAPTCYP1A2CYP2C9CYP2C19

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
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 US claimed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 US disclosed
EP-1580184-A1 secondary N-alkylepolyhydroxilated p-phenylendiamines, dye composition comprising them, processes and uses L'OREAL (FR) 2005-09-28 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-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof KRT18, CDC73, DSP SIGMAR1 4202/4885MAPT 2302/4885CYP1A2 1801/4885

“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.