SCHEMBL1493343

SCHEMBL1493343

COc1ccc(-n2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2C)cc1F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
LMNA P02545 5/20 0.54
MAPK1 P28482 1/20 0.53
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
USP2 O75604 1/20 0.49
PKM P14618 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 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
SCHEMBL1611457 0.88 ALDH1A1 (0.60) ALDH1A1LMNAMAPK1MAPTHPGD
SCHEMBL1493512 0.87 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1MAPTHPGD
SCHEMBL1611034 0.87 KMT2A (0.56) ALDH1A1LMNAMAPTPOLBKMT2A
SCHEMBL1611894 0.86 ALDH1A1 (0.66) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL1493373 0.85 NPSR1 (0.55) ALDH1A1LMNAMAPTPOLBKMT2A
SCHEMBL1493481 0.85 NPSR1 (0.49) ALDH1A1LMNAMAPTPOLBKMT2A
SCHEMBL1611622 0.84 ALDH1A1 (0.56) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL1611780 0.84 SMN1; SMN2 (0.47) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL1493497 0.84 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1MAPTHPGD
SCHEMBL1610113 0.84 NPSR1 (0.52) ALDH1A1LMNAMAPTHPGDPOLB

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 4145/4885MAPK1 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.