SCHEMBL2763396

SCHEMBL2763396

O=C(O)NC(C(=O)c1cccnc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.55
▸ PTGS2 P35354 2/20 0.51
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ GAA P10253 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ APP P05067 1/20 0.45
▸ HCAR3 P49019 1/20 0.45
▸ HCAR2 Q8TDS4 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ PLOD2 O00469 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL26131297 0.76 GAA (0.57) POLBKMT2AGAASMN1; SMN2
SCHEMBL26131295 0.76 GAA (0.57) POLBKMT2AGAASMN1; SMN2
SCHEMBL11814665 0.75 EPHX2 (0.46) EPHX2GAAALDH1A1APPHCAR3
SCHEMBL27870261 0.74 NPC1 (0.61) EPHX2PTGS2POLBKMT2AALDH1A1
SCHEMBL30573569 0.74 NPC1 (0.61) EPHX2PTGS2POLBKMT2AALDH1A1
SCHEMBL2762731 0.73 CES2 (0.53) RAB9ANPC1
SCHEMBL4978745 0.73 SLC6A9 (0.56) POLBKMT2AGAAALDH1A1MAPK1
SCHEMBL6654487 0.73 KMT2A (0.54) EPHX2PTGS2POLBKMT2AATM
SCHEMBL28457962 0.72 TDP1 (0.55) EPHX2ATMGAAALDH1A1RAB9A
SCHEMBL16164843 0.72 HDAC3 (0.46) KMT2AGAAALDH1A1NPC1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825264-B2 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2010-11-02 — — US disclosed
EP-1899320-B1 SUBSTITUTED PYRR0LIDIN-2-0NES , PIPERIDIN-2-0NES AND ISOTHIAZOLIDINE-1, 1-DIOXIDES, THEIR USE AS KV1 .5 POTASSIUM CHANNEL BLOCKERS AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI AVENTIS (FR) 2010-10-20 — — EP disclosed
US-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2008-08-07 — — US disclosed
EP-1899320-A1 SUBSTITUTED PYRR0LIDIN-2-0NES , PIPERIDIN-2-0NES AND ISOTHIAZOLIDINE-1, 1-DIOXIDES, THEIR USE AS KVl .5 POTASSIUM CHANNEL BLOCKERS AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM Sanofi-Aventis (FR) 2008-03-19 — — EP disclosed
WO-2006136305-A1 SUBSTITUTED PYRR0LIDIN-2-0NES , PIPERIDIN-2-0NES AND ISOTHIAZOLIDINE-1, 1-DIOXIDES, THEIR USE AS KVl .5 POTASSIUM CHANNEL BLOCKERS AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI-AVENTIS (DE) 2006-12-28 — — 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-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them KCNH1, MLLT3, CYP1A2 EPHX2 1285/4885PTGS2 943/4885POLB 4663/4885

“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.

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