SCHEMBL4273329

SCHEMBL4273329

COc1c(C(=O)O)cn2c1C(=O)N(C)CC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
NR4A1 P22736 1/20 0.33
APEX1 P27695 1/20 0.33
PTPN7 P35236 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
MCL1 Q07820 1/20 0.33
ESR2 Q92731 1/20 0.33
GPR35 Q9HC97 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HNF4A P41235 1/20 0.31

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
SCHEMBL5124464 0.79 GRM5 (0.41) KDM4EPOLBRECQL
SCHEMBL26287161 0.71 KCNH2 (0.33) HSD17B10KDM4E
SCHEMBL13175074 0.70 CYP1A2 (0.34) MAPTKDM4E
SCHEMBL18775392 0.69 SLC22A2 (0.38) HSD17B10TDP1KDM4EPOLB
SCHEMBL15934471 0.68 SLC22A2 (0.35) HSD17B10TDP1KDM4EESR1POLB
SCHEMBL1274290 0.67 MEN1 (0.46) TDP1POLBMEN1KMT2A
SCHEMBL15934569 0.66 SLC22A2 (0.36) HSD17B10TDP1KDM4EPOLB
SCHEMBL15934470 0.65 SLC22A2 (0.37) HSD17B10TDP1KDM4EPOLBMEN1
SCHEMBL13698069 0.64 HSD17B10 (0.41) HSD17B10TDP1MAPTKDM4EPOLB
SCHEMBL5174269 0.64 HSD17B10 (0.41) HSD17B10TDP1MAPTKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312335-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2009-12-17 US disclosed
US-20090312335-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2009-12-17 US disclosed
US-20090312335-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2009-12-17 US disclosed
WO-2007050510-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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-20090312335-A1 Hiv Integrase Inhibitors RECQL, TYMP, POLR2H HSD17B10 584/4885TDP1 133/4885MAPT 2808/4885

“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.