SCHEMBL4492829

SCHEMBL4492829

COc1c2c(c(C(=O)N(C)C)[nH]c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.35
EZH2 Q15910 9/20 0.34
EZH1 Q92800 1/20 0.34
P2RX7 Q99572 3/20 0.34
DAO P14920 1/20 0.34
HTR2A P28223 1/20 0.34
GRM2 Q14416 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MMP10 P09238 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL1336948 0.90 AKR1B1 (0.38) AKR1B1EZH2P2RX7DAOHTR2A
SCHEMBL4487029 0.89 AKR1B1 (0.36) AKR1B1EZH2DAOHTR2AGRM2
SCHEMBL4484368 0.87 MEN1 (0.39) EZH2SMN1; SMN2
SCHEMBL3023303 0.86 EZH2 (0.32) EZH2HTR2AGRM2
SCHEMBL1336823 0.86 EZH2 (0.32) EZH2HTR2AGRM2
SCHEMBL6032269 0.84 P2RX7 (0.37) EZH2P2RX7DAOHTR2AGRM2
SCHEMBL4486283 0.84 P2RX7 (0.37) EZH2P2RX7DAOHTR2AGRM2
SCHEMBL4480439 0.83 P2RX7 (0.35) AKR1B1EZH2P2RX7SMN1; SMN2
SCHEMBL1337491 0.81 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL3615308 0.81 EZH2 (0.33) EZH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H AKR1B1 2248/4885EZH2 2885/4885EZH1 2497/4885

“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.