SCHEMBL4489696

SCHEMBL4489696

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.37
AKR1B1 P15121 1/20 0.36
MAOB P27338 5/20 0.36
HTR2A P28223 1/20 0.35
GRM2 Q14416 1/20 0.35
WDR5 P61964 1/20 0.35
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
FSCN1 Q16658 1/20 0.34
TNIK Q9UKE5 1/20 0.34
DAO P14920 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
SCHEMBL13672800 0.88 WDR5 (0.38) EZH2AKR1B1MAOBHTR2AGRM2
SCHEMBL4484082 0.87 AKR1B1 (0.37) EZH2AKR1B1MAOBHTR2AGRM2
SCHEMBL4486261 0.87 P2RX7 (0.37) EZH2MAOBHTR2AGRM2WDR5
SCHEMBL13672787 0.85 AKR1B1 (0.38) AKR1B1MAOBHTR2AGRM2WDR5
SCHEMBL14441029 0.85 AKR1B1 (0.36) EZH2AKR1B1MAOBHTR2AGRM2
SCHEMBL4502909 0.85 MAPK1 (0.37) EZH2AKR1B1HTR2AGRM2WDR5
SCHEMBL5449046 0.85 AKR1B1 (0.35) AKR1B1MAOBHTR2AGRM2WDR5
SCHEMBL4480852 0.84 CENPE (0.36) EZH2AKR1B1HTR2AGRM2WDR5
SCHEMBL31060990 0.83 AKR1B1 (0.36) AKR1B1MAOBHTR2AGRM2WDR5
SCHEMBL4479511 0.83 AKR1B1 (0.36) AKR1B1MAOBHTR2AGRM2WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
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
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 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 2885/4885AKR1B1 2248/4885MAOB 3722/4885

“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.