SCHEMBL1493598

SCHEMBL1493598

COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cc(F)cc(F)c2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NTRK1 P04629 1/20 0.46
NTRK2 Q16620 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1612781 0.91 ALDH1A1 (0.53) ALDH1A1LMNAHTTCYP1A2CYP3A4
SCHEMBL1611384 0.89 ALDH1A1 (0.49) ALDH1A1LMNAHTTCYP1A2CYP3A4
SCHEMBL1612372 0.89 ALDH1A1 (0.51) ALDH1A1LMNAHTTCYP1A2CYP3A4
SCHEMBL1611152 0.88 ALDH1A1 (0.63) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1612385 0.88 ALDH1A1 (0.53) ALDH1A1LMNAHTTCYP1A2CYP3A4
SCHEMBL1493549 0.88 ALDH1A1 (0.53) ALDH1A1LMNAHTTCYP1A2CYP3A4
SCHEMBL1610520 0.87 ALDH1A1 (0.54) ALDH1A1LMNAHTTCYP1A2CYP3A4
SCHEMBL1612629 0.86 ALDH1A1 (0.51) ALDH1A1LMNAHTTCYP1A2CYP3A4
SCHEMBL1610931 0.86 ALDH1A1 (0.55) ALDH1A1LMNAHTTCYP1A2CYP3A4
SCHEMBL1611276 0.86 ALDH1A1 (0.58) ALDH1A1LMNAHTTMEN1KMT2A

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 4145/4885HTT 616/4885

“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.