SCHEMBL768589

SCHEMBL768589

CC(=O)c1noc(-c2ccccc2)c1CBr

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGS1 P23219 1/20 0.41
DUSP3 P51452 7/20 0.41
POLB P06746 2/20 0.39
IP6K1 Q92551 4/20 0.38
IP6K3 Q96PC2 3/20 0.38
IP6K2 Q9UHH9 3/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
NR4A2 P43354 1/20 0.37
RXRG P48443 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL768632 0.78 PTPN1 (0.56) PTPN1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL13316480 0.76 PTPN1 (0.54) PTPN1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL244016 0.76 BRD4 (0.46) PTPN1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2564471 0.75 PTPN1 (0.61) PTPN1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL768786 0.73 PTPN1 (0.63) PTPN1ALDH1A1PTGS1DUSP3IP6K1
SCHEMBL13435 0.73 BRD4 (0.43) ALDH1A1KDM4EIP6K1IP6K3IP6K2
SCHEMBL1226204 0.73 PTPN1 (0.58) PTPN1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2564362 0.72 PTPN1 (0.56) PTPN1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL13316479 0.72 PTPN1 (0.49) PTPN1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL766957 0.71 TRPV1 (0.52)

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 PTPN1 2000/4885KMT2A 2644/4885MEN1 4769/4885

“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.