SCHEMBL4825569

SCHEMBL4825569

Cc1cc(N)ccc1NC(CO)CSCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CXCR2 P25025 5/20 0.35
CX3CR1 P49238 4/20 0.35
METAP2 P50579 1/20 0.35
ELANE P08246 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
ACE P12821 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL3859936 0.83 SIGMAR1 (0.44) CYP1A2MAPTCYP2C9CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL3859541 0.81 MAPT (0.43) CYP1A2MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL4823294 0.79 IDO1 (0.37) CYP1A2MAPTCYP2C9CYP2C19CXCR2
SCHEMBL4818409 0.79 MAPT (0.46) CYP1A2MAPTCYP2C9CYP2C19METAP2
SCHEMBL4816519 0.78 ELANE (0.52) CYP1A2MAPTCYP2C9CYP2C19METAP2
SCHEMBL4821873 0.78 ALDH1A1 (0.37) CXCR2CX3CR1METAP2ALDH1A1ACE
SCHEMBL4854316 0.76 CYP1A2 (0.39) CYP1A2MAPTCYP2C9CYP2C19CXCR2
SCHEMBL4860836 0.76 FYN (0.44) CYP1A2MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL4860025 0.73 TLR7 (0.40) CYP1A2MAPTCYP2C9CYP2C19ALDH1A1
SCHEMBL4825576 0.72 CYP1A2 (0.42) CYP1A2MAPTCYP2C9CYP2C19GAA

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
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US claimed
US-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'OREAL S.A. (FR) 2006-01-12 US claimed
EP-1568687-A1 Sulphur-containing secondary para-Phenylenediamines, dying composition containing such para-phenylenediamines and methods using this composition and use L'OREAL (FR) 2005-08-31 EP claimed
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'OREAL S.A. (FR) 2006-01-12 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-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof KRT18, CDC73, DSG1 CYP1A2 3896/4885MAPT 2238/4885CYP2C9 2214/4885

“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.