SCHEMBL1481497

SCHEMBL1481497

Cn1cc(-c2ccc(Cl)cc2Cl)nc1C=Cc1ccc(-c2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
PTGS2 P35354 1/20 0.41
TSPO P30536 1/20 0.40
KCNA3 P22001 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LPAR2 Q9HBW0 1/20 0.38
FFAR1 O14842 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ACACA Q13085 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 2/20 0.37
MARS1 P56192 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL1481492 1.00 MAP4K4 (0.42) MAP4K4PTGS2TSPOKCNA3L3MBTL1
SCHEMBL1480594 0.90 FFAR4 (0.43) KCNA3FFAR1PPARAPPARGPPARD
SCHEMBL1480591 0.90 FFAR4 (0.43) KCNA3FFAR1PPARAPPARGPPARD
SCHEMBL1480587 0.89 PPARA (0.46) KCNA3FFAR1PPARAPPARGPPARD
SCHEMBL1480586 0.89 PPARA (0.46) KCNA3FFAR1PPARAPPARGPPARD
SCHEMBL1481290 0.89 MAP4K4 (0.41) MAP4K4PTGS2TSPOKCNA3L3MBTL1
SCHEMBL1481291 0.89 MAP4K4 (0.41) MAP4K4PTGS2TSPOKCNA3L3MBTL1
SCHEMBL12829144 0.87 PTGDR2 (0.40) MAP4K4TSPOLPAR2PPARAPPARG
SCHEMBL1480829 0.86 NR4A2 (0.46) KCNA3FFAR1MCL1
SCHEMBL1480831 0.86 NR4A2 (0.46) KCNA3FFAR1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 WO 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ MAP4K4 843/4885PTGS2 1093/4885TSPO 2179/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ MAP4K4 843/4885PTGS2 1093/4885TSPO 2179/4885

“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.