SCHEMBL1493383

SCHEMBL1493383

Cc1cccc(-n2nnnc2SCC(=O)Nc2ccnn2Cc2ccncc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL1610585 0.94 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL1612063 0.93 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL1493526 0.92 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL1611938 0.92 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL1493575 0.91 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL1613052 0.91 TDP1 (0.50) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL1611820 0.90 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL1493285 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL1493392 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL1493395 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA

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 3233/4885SMN1; SMN2 4215/4885KMT2A 1510/4885

“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.