SCHEMBL1386512

SCHEMBL1386512

CCN1CC(CO)n2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)ncc32)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.39
HTT P42858 2/20 0.39
MITF O75030 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKLR P30613 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 3/20 0.33
BRD4 O60885 2/20 0.33
POLB P06746 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KAT2B Q92831 1/20 0.32

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
SCHEMBL3985043 0.87 PKM (0.35) PKMHTTMITFRAB9ANPSR1
SCHEMBL3981578 0.83 PKM (0.38) PKMHTTPKLRSMN1; SMN2TP53
SCHEMBL3985644 0.79 PKM (0.41) PKMHTTMITFRAB9ANPSR1
SCHEMBL13842813 0.79 GRM2 (0.35) PKMHTTMITFRAB9ANPSR1
SCHEMBL13842706 0.79 GRM2 (0.35) PKMHTTMITFRAB9ANPSR1
SCHEMBL1385610 0.79 PKM (0.41) PKMHTTMITFRAB9ANPSR1
SCHEMBL3982659 0.74 PKM (0.37) PKMHTTPKLRSMN1; SMN2TP53
SCHEMBL1386743 0.73 PKM (0.39) PKMHTTPKLRSMN1; SMN2TP53
SCHEMBL3985624 0.73 PKM (0.36) PKMHTTPKLRSMN1; SMN2TP53
SCHEMBL3983463 0.72 PKM (0.44) PKMHTTMITFRAB9ANPSR1

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
JP-4824673-B2 2011-11-30 JP claimed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP claimed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 WO claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP PKM 1268/4885HTT 3280/4885MITF 4678/4885

“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.