SCHEMBL4486261

SCHEMBL4486261

CCc1c2c(c(OC)c(=O)n1C)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.37
MAOB P27338 2/20 0.36
ADORA2A P29274 1/20 0.36
EZH2 Q15910 2/20 0.36
WDR5 P61964 1/20 0.36
HTR2A P28223 1/20 0.34
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6032110 0.88 LMNA (0.44) P2RX7WDR5ALDH1A1LMNAHTT
SCHEMBL4482140 0.88 P2RX7 (0.39) P2RX7MAOBADORA2AEZH2WDR5
SCHEMBL4489696 0.87 EZH2 (0.37) MAOBEZH2WDR5HTR2AGRM2
SCHEMBL4479378 0.86 EZH2 (0.37) P2RX7MAOBADORA2AEZH2WDR5
SCHEMBL4489713 0.85 CCR2 (0.38) P2RX7MAOBADORA2AEZH2WDR5
SCHEMBL4477879 0.84 MEN1 (0.38) P2RX7ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4487300 0.83 P2RX7 (0.36) P2RX7EZH2WDR5
SCHEMBL4480439 0.83 P2RX7 (0.35) P2RX7MAOBADORA2AEZH2WDR5
SCHEMBL4484973 0.82 P2RX7 (0.33) P2RX7MAOBADORA2AEZH2WDR5
SCHEMBL4482091 0.81 FSCN1 (0.34) P2RX7WDR5ALDH1A1LMNAHTT

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 3818/4885MAOB 3722/4885ADORA2A 3572/4885

“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.