SCHEMBL1493358

SCHEMBL1493358

COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2ccc(C)cc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 6/20 0.58
ALDH1A1 P00352 10/20 0.57
HSD17B10 Q99714 2/20 0.57
ALOX15 P16050 2/20 0.57
USP2 O75604 1/20 0.57
TSHR P16473 4/20 0.57
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
CYP3A4 P08684 1/20 0.53
RECQL P46063 1/20 0.53
PKM P14618 1/20 0.52
GAA P10253 1/20 0.51
NTRK1 P04629 1/20 0.49
NTRK2 Q16620 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL1612460 0.94 ALDH1A1 (0.58) MEN1KMT2ALMNAALDH1A1HSD17B10
SCHEMBL1612385 0.92 ALDH1A1 (0.53) MEN1KMT2ALMNAALDH1A1HSD17B10
SCHEMBL1493325 0.91 ALDH1A1 (0.62) MEN1KMT2ALMNAALDH1A1HSD17B10
SCHEMBL1493549 0.91 ALDH1A1 (0.53) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL1493614 0.90 ALDH1A1 (0.52) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL1493475 0.90 ALDH1A1 (0.56) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL1610964 0.89 ALDH1A1 (0.61) MEN1KMT2ALMNAALDH1A1HSD17B10
SCHEMBL1493382 0.88 CYP1A2 (0.60) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL1493461 0.88 CYP1A2 (0.54) MEN1KMT2ALMNAALDH1A1USP2
SCHEMBL1611384 0.87 ALDH1A1 (0.49) MEN1KMT2ALMNAALDH1A1HSD17B10

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 4 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
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 MEN1 683/4885KMT2A 1510/4885LMNA 4145/4885

“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.