SCHEMBL2579485

SCHEMBL2579485

NC(=O)c1ccc(F)c(C(F)(F)F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
XBP1 P17861 2/20 0.41
DGAT1 O75907 1/20 0.41
NOTUM Q6P988 2/20 0.40
PDK2 Q15119 2/20 0.39
PLA2G1B P04054 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
CASP1 P29466 2/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
P2RX7 Q99572 6/20 0.36

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
SCHEMBL28146164 0.84 ALDH1A1 (0.42) NOTUMCTSSCTSKP2RX7
SCHEMBL2579402 0.84 TSHR (0.41) NOTUMPDK2CASP1P2RX7
SCHEMBL30222014 0.81 DGAT1 (0.43) LMNAXBP1DGAT1PLA2G1BL3MBTL1
SCHEMBL2584915 0.79 DGAT1 (0.47) LMNAXBP1DGAT1PDK2CASP1
SCHEMBL2581821 0.77 CES2 (0.48) LMNAXBP1DGAT1PDK2CASP1
SCHEMBL2584583 0.74 PARP1 (0.44) DGAT1PDK2P2RX7
SCHEMBL3336960 0.74 DGAT1 (0.43) DGAT1CASP1KMT2AATMMEN1
SCHEMBL811777 0.73 KMT2A (0.52) LMNADGAT1CASP1KMT2AATM
SCHEMBL5802725 0.73 DGAT1 (0.46) LMNAXBP1DGAT1PDK2CASP1
SCHEMBL27631068 0.73 ALDH1A1 (0.42) LMNAXBP1NOTUMKMT2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
CN-101511787-B Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use GLAXO GROUP LTD. (GB) 2011-11-30 CN disclosed
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 US disclosed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
CN-101511787-A Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use GLAXO GROUP LTD (GB) 2009-08-19 CN disclosed
WO-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
EP-2049478-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE Glaxo Group Limited (GB) 2009-04-22 EP disclosed
WO-2008003697-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LIMITED (GB) 2008-01-10 WO disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 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 (2 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-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 LMNA 2933/4885XBP1 567/4885DGAT1 4589/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 LMNA 2933/4885XBP1 567/4885DGAT1 4589/4885

“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.