SCHEMBL1398685

SCHEMBL1398685

Cc1cccc(-c2nc(C)sc2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
KMO O15229 2/20 0.47
PIN1 Q13526 1/20 0.47
NTRK1 P04629 1/20 0.46
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
GAA P10253 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
NR4A2 P43354 1/20 0.43
RXRG P48443 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CSNK1D P48730 2/20 0.43
CSNK1E P49674 2/20 0.43

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
SCHEMBL275863 0.85 NTRK1 (0.59) SMN1; SMN2RAB9ANPC1NTRK1CDC7
SCHEMBL1338860 0.85 TRPM8 (0.49) SMN1; SMN2KMOPIN1NTRK1LMNA
SCHEMBL1398713 0.85 KMT2A (0.52) SMN1; SMN2RAB9ANPC1NPSR1KMO
SCHEMBL1398736 0.84 ALDH1A1 (0.52) SMN1; SMN2RAB9ANPC1PIN1LMNA
SCHEMBL4743844 0.82 ALDH1A1 (0.57) SMN1; SMN2RAB9ANPC1CDC7DBF4
SCHEMBL6287392 0.82 F11 (0.52) PIN1NTRK1
SCHEMBL1398676 0.82 ALDH1A1 (0.65) SMN1; SMN2RAB9ANPC1KMOPIN1
SCHEMBL1398786 0.81 GAA (0.57) SMN1; SMN2RAB9ANPC1NPSR1NTRK1
SCHEMBL13494032 0.78 GPR35 (0.54) SMN1; SMN2KMONTRK1CDC7DBF4
SCHEMBL8202097 0.77 ALDH1A1 (0.49) MAPK14SMN1; SMN2RAB9ANPC1ALDH1A1

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-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
CN-101506199-A Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-08-12 CN disclosed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008087611-A2 PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-24 WO disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 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 (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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R MAPK14 3640/4885SMN1; SMN2 2584/4885RAB9A 717/4885

“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.