SCHEMBL1493475

SCHEMBL1493475

COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2ccccc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
LMNA P02545 5/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPK1 P28482 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
NTRK1 P04629 1/20 0.50
NTRK2 Q16620 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL1611820 0.94 ALDH1A1 (0.53) ALDH1A1LMNAHPGDNPSR1CYP1A2
SCHEMBL1612188 0.92 ALDH1A1 (0.57) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL1493476 0.92 MEN1 (0.63) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1611152 0.91 ALDH1A1 (0.63) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL1493372 0.91 ALDH1A1 (0.55) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1493358 0.90 MEN1 (0.58) ALDH1A1LMNACYP3A4KMT2AMEN1
SCHEMBL1612460 0.90 ALDH1A1 (0.58) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL1611680 0.90 ALDH1A1 (0.58) ALDH1A1LMNAHPGDCYP1A2CYP3A4
SCHEMBL1613002 0.90 ALDH1A1 (0.56) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1493530 0.89 ALDH1A1 (0.56) ALDH1A1LMNANPSR1CYP1A2CYP3A4

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 6 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 claimed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP claimed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO claimed
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 ALDH1A1 3233/4885LMNA 4145/4885HPGD 3219/4885

“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.