SCHEMBL1493382

SCHEMBL1493382

COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2ccc(C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 3/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 7/20 0.59
NTRK1 P04629 2/20 0.57
NTRK2 Q16620 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPK1 P28482 1/20 0.56
MAPT P10636 3/20 0.55
HPGD P15428 1/20 0.55
HK1 P19367 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 2/20 0.54

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
SCHEMBL1493461 0.92 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19HTT
SCHEMBL1611132 0.92 ALDH1A1 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19HTT
SCHEMBL1493500 0.90 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19HTT
SCHEMBL1493341 0.89 ALDH1A1 (0.62) CYP1A2CYP3A4CYP2D6CYP2C19HTT
SCHEMBL1612460 0.88 ALDH1A1 (0.58) HTTMEN1KMT2AALDH1A1NTRK1
SCHEMBL1493358 0.88 MEN1 (0.58) CYP3A4HTTMEN1KMT2AALDH1A1
SCHEMBL1493614 0.88 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19HTT
SCHEMBL1493325 0.88 ALDH1A1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL1611516 0.87 ALDH1A1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19HTT
SCHEMBL1493372 0.87 ALDH1A1 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CYP1A2 1066/4885CYP3A4 1167/4885CYP2D6 1821/4885

“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.