SCHEMBL4415725

SCHEMBL4415725

O=C(O)c1cnc(C(F)(F)F)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
NFKB1 P19838 8/20 0.41
JUN P05412 4/20 0.41
NFKB2 Q00653 4/20 0.41
RELA Q04206 4/20 0.41
ASPH Q12797 1/20 0.41
XPO1 O14980 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ATF1 P18846 5/20 0.36
FOS P01100 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE11A Q9HCR9 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
SCHEMBL8697289 0.86 NFKB1 (0.41) KEAP1NFE2L2NFKB1JUNNFKB2
SCHEMBL26150387 0.84 NFKB1 (0.40) NFKB1JUNNFKB2RELAXPO1
SCHEMBL4277489 0.82 KEAP1 (0.41) KEAP1NFE2L2NFKB1JUNNFKB2
SCHEMBL28874828 0.80 MAPT (0.44) NFKB1JUNNFKB2RELALMNA
SCHEMBL3283505 0.80 ASPH (0.42) NFKB1JUNNFKB2RELAASPH
SCHEMBL8544671 0.80 XPO1 (0.42) NFKB1JUNNFKB2RELAASPH
SCHEMBL28044658 0.79 ASPH (0.41) NFKB1JUNNFKB2RELAASPH
SCHEMBL2352570 0.79 HPGD (0.53) NFKB1JUNNFKB2RELAASPH
SCHEMBL30574458 0.77 NFKB1 (0.58) NFKB1JUNNFKB2RELALMNA
SCHEMBL131646 0.77 NFKB1 (0.58) NFKB1JUNNFKB2RELALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132127-A1 NOVEL SPIRO COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2026-05-14 US disclosed
CN-118176179-A Novel spiro compounds 田边三菱制药株式会社 2024-06-11 CN disclosed
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
WO-2023074847-A1 NOVEL SPIRO COMPOUND 田辺三菱製薬株式会社 2023-05-04 WO disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO disclosed
EP-3712149-A1 BENZAMIDE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING INFLAMMATORY DISEASE CONTAINING SAME AS ACTIVE INGREDIENT Seoul National University R & DB Foundation (KR) 2020-09-23 EP disclosed
EP-2903965-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orion Corporation (FI) 2015-08-12 EP disclosed
WO-2014053694-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORPORATION (FI) 2014-04-10 WO disclosed
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
CN-101374817-A Trisubstituted amine compounds as inhibitors of cholesteryl ester transfer protein CETP MITSUBISHI TANABE PHARMA CORP (JP) 2009-02-25 CN disclosed
CN-101321751-A Met kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-12-10 CN disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed
US-20040167142-A1 Pyrimidinone compounds SMITHKLINE BEECHAM P.L.C. 2004-08-26 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 (4 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-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 KEAP1 1965/4885NFE2L2 2760/4885NFKB1 2124/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 KEAP1 1965/4885NFE2L2 2760/4885NFKB1 2124/4885
US-20260132127-A1 NOVEL SPIRO COMPOUND TRHR, NR3C2, THRB KEAP1 911/4885NFE2L2 1705/4885NFKB1 2906/4885
US-20040167142-A1 Pyrimidinone compounds LPL, LIPG, PCSK9 KEAP1 1338/4885NFE2L2 1717/4885NFKB1 2283/4885

“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.