SCHEMBL4479378

SCHEMBL4479378

C=Cc1c2c(c(OC)c(=O)n1C)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 2/20 0.37
P2RX7 Q99572 10/20 0.35
WDR5 P61964 2/20 0.35
LMNA P02545 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTR2A P28223 1/20 0.34
GRM2 Q14416 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOB P27338 1/20 0.34
ADORA2A P29274 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4482140 0.87 P2RX7 (0.39) EZH2P2RX7WDR5LMNAHTT
SCHEMBL4489713 0.86 CCR2 (0.38) EZH2P2RX7WDR5LMNASMN1; SMN2
SCHEMBL4486261 0.86 P2RX7 (0.37) EZH2P2RX7WDR5LMNAHTT
SCHEMBL4477879 0.84 MEN1 (0.38) P2RX7LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL4487300 0.82 P2RX7 (0.36) EZH2P2RX7WDR5
SCHEMBL4480439 0.82 P2RX7 (0.35) EZH2P2RX7WDR5SMN1; SMN2MAOB
SCHEMBL4484973 0.81 P2RX7 (0.33) EZH2P2RX7WDR5LMNAHTT
SCHEMBL4482091 0.80 FSCN1 (0.34) P2RX7WDR5LMNAHTTSMN1; SMN2
SCHEMBL1337872 0.80 MEN1 (0.35) P2RX7LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL4483643 0.80 AKR1B1 (0.35) EZH2P2RX7WDR5SMN1; SMN2MAOB

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 EZH2 2885/4885P2RX7 3818/4885WDR5 1380/4885

“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.