SCHEMBL768773

SCHEMBL768773

CCOC(=O)c1noc(-c2ccccc2)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.50
ALDH1A1 P00352 6/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP2 O95551 2/20 0.47
PTPN1 P18031 1/20 0.47
MEN1 O00255 1/20 0.46
PRNP P04156 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL1686235 0.89 TARBP2 (0.56) TARBP2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1686445 0.86 TARBP2 (0.54) TARBP2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1686239 0.86 TRPV1 (0.52) TARBP2ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL12000496 0.86 TARBP2 (0.52) TARBP2ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL2568755 0.84 PTGS1 (0.58) ALDH1A1MAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL1226917 0.83 TARBP2 (0.50) TARBP2ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL31587044 0.83 ADORA3 (0.50) TARBP2ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL1753377 0.83 CYP1A2 (0.51) TARBP2ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL768777 0.83 PTGS1 (0.51) TARBP2ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL17079301 0.83 TARBP2 (0.50) TARBP2ALDH1A1MAPTSMN1; SMN2MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-03-22 US 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-20120071481-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, TRPV3 TARBP2 3588/4885ALDH1A1 865/4885MAPT 2229/4885

“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.