SCHEMBL768606

SCHEMBL768606

CCOC(=O)c1noc(-c2ccc(C)cc2)c1CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 5/20 0.50
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP2 O95551 2/20 0.43
MLYCD O95822 1/20 0.43
ALDH1A1 P00352 4/20 0.41
PKM P14618 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PLK1 P53350 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
CYP19A1 P11511 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
ALOX5 P09917 1/20 0.39

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
SCHEMBL766505 0.87 MLYCD (0.52) MLYCDKDM4EMEN1MAPTKMT2A
SCHEMBL768815 0.82 TRPV1 (0.52) TARBP2CYP1A2CYP2C9CYP2C19TDP2
SCHEMBL766700 0.80 TRPV1 (0.54) TARBP2TDP2MLYCDALDH1A1HTT
SCHEMBL31587044 0.78 ADORA3 (0.50) TARBP2CYP1A2CYP2C9CYP2C19TDP2
SCHEMBL1686235 0.76 TARBP2 (0.56) TARBP2CYP1A2CYP2C9CYP2C19TDP2
SCHEMBL766813 0.75 TRPV1 (0.62) MLYCDKDM4EMEN1MAPTKMT2A
SCHEMBL13256885 0.74 MLYCD (0.52) MLYCDKDM4EMEN1MAPTKMT2A
SCHEMBL1686445 0.74 TARBP2 (0.54) TARBP2ALDH1A1PKMKDM4EPOLB
SCHEMBL1686239 0.74 TRPV1 (0.52) TARBP2TDP2MLYCDALDH1A1PKM
SCHEMBL18597734 0.74 RAB9A (0.38) ALDH1A1HTTKDM4EPOLBSMN1; SMN2

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 3588/4885CYP1A2 1322/4885CYP2C9 1170/4885

“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.