SCHEMBL4816519

SCHEMBL4816519

CCOC(=O)C(CSCc1ccccc1)Nc1ccc(N)cc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.52
METAP2 P50579 1/20 0.47
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARA Q07869 4/20 0.40
PPARG P37231 2/20 0.40
ACE P12821 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPRT1 P00492 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
SCHEMBL4818409 0.92 MAPT (0.46) ELANEMETAP2MAPTCYP1A2CYP2C9
SCHEMBL8458627 0.86 METAP2 (0.50) ELANEMETAP2PPARAPPARGACE
SCHEMBL4816301 0.84 ELANE (0.58) ELANEMETAP2MAPTPPARAPPARG
SCHEMBL4824656 0.80 ELANE (0.48) ELANEMETAP2MAPTPPARAPPARG
SCHEMBL5930467 0.79 CYP1A2 (0.44) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4825569 0.78 CYP1A2 (0.41) ELANEMETAP2MAPTCYP1A2CYP2C9
SCHEMBL8458621 0.77 METAP2 (0.50) ELANEMETAP2PPARAPPARGACE
SCHEMBL5930500 0.77 CYP1A2 (0.42) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4819667 0.76 PPID (0.56) METAP2MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2238427 0.75 METAP2 (0.53) ELANEMETAP2PPARAPPARGACE

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-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-20060189639-A1 Antagonists of the mGlu receptor and uses thereof ABBOTT LABORATORIES 2006-08-24 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
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-20060189639-A1 Antagonists of the mGlu receptor and uses thereof ABBOTT LABORATORIES 2006-08-24 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 (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-20060189639-A1 Antagonists of the mGlu receptor and uses thereof GRM3, GRM4, GRIA4 ELANE 2080/4885METAP2 1555/4885MAPT 950/4885
US-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof KRT18, CDC73, DSG1 ELANE 2819/4885METAP2 559/4885MAPT 2238/4885

“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.