SCHEMBL1493590

SCHEMBL1493590

Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccnn1Cc1ccc2c(c1)CCO2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.46
TSHR P16473 3/20 0.46
MAPT P10636 7/20 0.45
LMNA P02545 5/20 0.45
POLB P06746 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 2/20 0.43
PKM P14618 1/20 0.43
ESR1 P03372 1/20 0.43
NPC1 O15118 2/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL1493372 0.82 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2TSHRLMNA
SCHEMBL1612523 0.81 MAPT (0.53) ALDH1A1HTTSMN1; SMN2TSHRMAPT
SCHEMBL1612426 0.78 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL1493323 0.78 ALDH1A1 (0.47) ALDH1A1HTTSMN1; SMN2TSHRMAPT
SCHEMBL1493454 0.78 ALDH1A1 (0.53) ALDH1A1HTTSMN1; SMN2TSHRLMNA
SCHEMBL1612937 0.77 ALDH1A1 (0.51) ALDH1A1HTTSMN1; SMN2TSHRMAPT
SCHEMBL1493599 0.76 ALDH1A1 (0.55) ALDH1A1HTTSMN1; SMN2MAPTLMNA
SCHEMBL1611368 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL1493614 0.76 ALDH1A1 (0.52) ALDH1A1HTTTSHRMAPTLMNA
SCHEMBL1612078 0.76 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2MAPTLMNA

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 3233/4885HTT 616/4885SMN1; SMN2 4215/4885

“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.