SCHEMBL1491135

SCHEMBL1491135

COc1ccc(Cn2nccc2NC(=O)CBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.44
BTK Q06187 1/20 0.44
NOD2 Q9HC29 1/20 0.44
UCHL1 P09936 1/20 0.43
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MCHR1 Q99705 1/20 0.41
PKM P14618 1/20 0.41
PTGS2 P35354 1/20 0.41
CACNA1H O95180 3/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL25324228 0.81 ALDH1A1 (0.46) NPBWR1BTKNOD2UCHL1ALOX15
SCHEMBL25326418 0.81 ALDH1A1 (0.46) NPBWR1BTKNOD2UCHL1ALOX15
SCHEMBL1491125 0.80 CYP2C9 (0.49) NPBWR1ALDH1A1MCHR1MEN1KMT2A
SCHEMBL12166153 0.79 NPBWR1 (0.48) NPBWR1BTKUCHL1ALOX15L3MBTL1
SCHEMBL8076193 0.78 NPBWR1 (0.49) NPBWR1BTKUCHL1ALOX15ALDH1A1
SCHEMBL13167916 0.78 NPBWR1 (0.49) NPBWR1BTKUCHL1ALOX15ALDH1A1
SCHEMBL29065507 0.78 UCHL1 (0.46) NPBWR1BTKUCHL1ALOX15L3MBTL1
SCHEMBL12604335 0.78 UCHL1 (0.46) NPBWR1BTKUCHL1ALOX15L3MBTL1
Hydrochloric Acid SCHEMBL31463493 0.76 NPBWR1 (0.47) NPBWR1BTKUCHL1ALOX15L3MBTL1
Hydrochloric Acid SCHEMBL28635367 0.76 NPBWR1 (0.47) NPBWR1BTKUCHL1ALOX15L3MBTL1

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 3 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 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 NPBWR1 97/4885BTK 2591/4885NOD2 2811/4885

“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.