SCHEMBL2584915

SCHEMBL2584915

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
KMT2A Q03164 3/20 0.42
ATM Q13315 1/20 0.42
CASP1 P29466 2/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PBRM1 Q86U86 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
PDK2 Q15119 1/20 0.37
CD38 P28907 1/20 0.36
LMNA P02545 1/20 0.36
XBP1 P17861 1/20 0.36
PARP1 P09874 1/20 0.36
TNF P01375 1/20 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
SCHEMBL811777 0.86 KMT2A (0.52) DGAT1KMT2AATMCASP1ALDH1A1
SCHEMBL5802725 0.85 DGAT1 (0.46) DGAT1KMT2AATMCASP1CES2
SCHEMBL2581821 0.85 CES2 (0.48) DGAT1KMT2AATMCASP1CES2
SCHEMBL19329543 0.83 DGAT1 (0.44) DGAT1KMT2AATMCASP1CES2
SCHEMBL2844234 0.82 DGAT1 (0.43) DGAT1KMT2AATMCASP1CES2
SCHEMBL3336960 0.82 DGAT1 (0.43) DGAT1KMT2AATMCASP1CES2
SCHEMBL4910880 0.81 PBRM1 (0.53) DGAT1KMT2AATMCES2CES1
SCHEMBL109128 0.80 TSHR (0.48) CASP1CES2CES1ALDH1A1MAP2K1
SCHEMBL110164 0.80 ALDH1A1 (0.50) KMT2ACASP1CES2CES1ALDH1A1
SCHEMBL15746792 0.79 MAP2K2 (0.42) DGAT1KMT2AATMCASP1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
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
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 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
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
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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 (3 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 DGAT1 4589/4885KMT2A 4700/4885ATM 3754/4885
US-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 DGAT1 4430/4885KMT2A 833/4885ATM 290/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 DGAT1 4589/4885KMT2A 4700/4885ATM 3754/4885

“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.