SCHEMBL1493500

SCHEMBL1493500

COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.55
LMNA P02545 1/20 0.55
NTRK1 P04629 1/20 0.55
NTRK2 Q16620 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
ESR1 P03372 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.53
HTT P42858 2/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL1493341 0.94 ALDH1A1 (0.62) ALDH1A1TSHRMAPK1LMNANTRK1
SCHEMBL1611516 0.93 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1LMNANTRK1
SCHEMBL1493461 0.93 CYP1A2 (0.54) ALDH1A1MAPK1LMNANTRK1NTRK2
SCHEMBL1612297 0.91 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1LMNANTRK1
SCHEMBL1611132 0.91 ALDH1A1 (0.67) ALDH1A1MAPK1LMNANTRK1NTRK2
SCHEMBL1493382 0.90 CYP1A2 (0.60) ALDH1A1MAPK1LMNANTRK1NTRK2
SCHEMBL1493372 0.88 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1LMNANTRK1
SCHEMBL1612460 0.87 ALDH1A1 (0.58) ALDH1A1TSHRLMNANTRK1NTRK2
SCHEMBL1493358 0.87 MEN1 (0.58) ALDH1A1TSHRLMNANTRK1NTRK2
SCHEMBL1493614 0.87 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1LMNANTRK1

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 ALDH1A1 3233/4885TSHR 44/4885MAPK1 3086/4885

“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.