SCHEMBL52380

SCHEMBL52380

O=C(O)c1nc[nH]c(=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RNASEH1 O60930 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42
ALDH1A1 P00352 1/20 0.40
BCAT2 O15382 1/20 0.40
PARP1 P09874 1/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38

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
SCHEMBL460243 0.82 GDA (0.42) CYP2C19HSD17B10KDM4EERCC1FEN1
SCHEMBL1498468 0.78 BCAT2 (0.50) CYP2C19HSD17B10KDM4EALDH1A1BCAT2
SCHEMBL823314 0.77 ERCC1 (0.47) RNASEH1KDM4EERCC1FEN1ERCC4
SCHEMBL12138845 0.73 KDM4E (0.45) CYP2C19HSD17B10KDM4EALDH1A1BCAT2
SCHEMBL24161132 0.71 KMT2A (0.49) KDM4EALDH1A1
SCHEMBL823313 0.71 ALDH1A1 (0.68) HSD17B10KDM4EALDH1A1
SCHEMBL245 0.71 KDM4E (0.59) CYP2C19HSD17B10KDM4EALDH1A1
SCHEMBL20929045 0.71
SCHEMBL30402769 0.71 KDM5B (0.51) BCL2MCL1PARP1
SCHEMBL24399735 0.71 KDM5B (0.51) BCL2MCL1PARP1

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
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
CN-102036996-A Bridged heterocycles as HIV integrase inhibitors BRISTOL MYERS SQUIBB CO 2011-04-27 CN disclosed
EP-2280981-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CYP2C19 312/4885HSD17B10 652/4885RNASEH1 1285/4885

“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.