SCHEMBL4486283

SCHEMBL4486283

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.37
DAO P14920 1/20 0.37
EZH2 Q15910 9/20 0.37
HTR2A P28223 1/20 0.37
GRM2 Q14416 1/20 0.37
TNIK Q9UKE5 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6032269 1.00 P2RX7 (0.37) P2RX7DAOEZH2HTR2AGRM2
SCHEMBL4478453 0.86 DAO (0.39) DAOEZH2HTR2AGRM2TNIK
SCHEMBL1336948 0.86 AKR1B1 (0.38) P2RX7DAOEZH2HTR2AGRM2
SCHEMBL4492829 0.84 AKR1B1 (0.35) P2RX7DAOEZH2HTR2AGRM2
SCHEMBL4484368 0.83 MEN1 (0.39) EZH2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4482140 0.83 P2RX7 (0.39) P2RX7EZH2HTR2AGRM2ALDH1A1
SCHEMBL4486261 0.78 P2RX7 (0.37) P2RX7EZH2HTR2AGRM2ALDH1A1
SCHEMBL4479378 0.77 EZH2 (0.37) P2RX7EZH2HTR2AGRM2ALDH1A1
SCHEMBL3023303 0.77 EZH2 (0.32) EZH2HTR2AGRM2
SCHEMBL1336823 0.77 EZH2 (0.32) EZH2HTR2AGRM2

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-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
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H P2RX7 3818/4885DAO 2755/4885EZH2 2885/4885

“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.