SCHEMBL2203971

SCHEMBL2203971

Nc1ccc(F)c(F)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 3/20 0.38
GFER P55789 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL21750024 0.84 KEAP1 (0.45) KEAP1CES2CES1KDM4EKMT2A
SCHEMBL29902994 0.83 CES2 (0.40) KEAP1CES2CES1HDAC1HDAC6
SCHEMBL2206232 0.83 CES2 (0.40) KEAP1CES2CES1HDAC1HDAC6
SCHEMBL670548 0.83 KEAP1 (0.44) KEAP1CES2CES1KDM4EKMT2A
SCHEMBL30296903 0.83 KEAP1 (0.44) KEAP1CES2CES1KDM4EKMT2A
SCHEMBL365563 0.81 CES2 (0.47) CES2CES1KDM4EKMT2AMEN1
SCHEMBL31258574 0.81 CES2 (0.47) CES2CES1KDM4EKMT2AMEN1
SCHEMBL24752830 0.81 KEAP1 (0.42) KEAP1KDM4EKMT2AGFERRXFP1
SCHEMBL3574434 0.81 DPP4 (0.47) KEAP1KDM4EKMT2AGFERRXFP1
SCHEMBL31145901 0.81 THRB (0.42) KEAP1CES2CES1KDM4EKMT2A

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559464-B2 Quinazolinone dione compounds and uses thereof EDGEWISE THERAPEUTICS, INC. (US) 2026-02-24 US disclosed
EP-4688756-A1 QUINAZOLINE DIONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2026-02-11 EP disclosed
US-20250026726-A1 QUINAZOLINONE DIONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2025-01-23 US disclosed
WO-2024206345-A1 QUINAZOLINE DIONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2024-10-03 WO disclosed
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2024-05-28 US disclosed
US-11939314-B2 Quinolin-2-one derivatives MERCK PATENT GMBH (DE) 2024-03-26 US disclosed
US-20230028687-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
US-20230028687-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-26 US disclosed
US-20220348558-A1 INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES UT RESEARCH FOUNDATION 2022-11-03 US disclosed
CN-110167926-B Poly-ADP ribose polymerase (PARP) inhibitors 米托布里奇公司 2022-09-13 CN disclosed
US-20100063105-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES UCB SA (GB) 2010-03-11 US disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
EP-1401443-A4 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040147739-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2004-07-29 US disclosed
EP-1401443-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-03-31 EP disclosed
WO-2002098424-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-12-12 WO disclosed
WO-1999032454-A9 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARM CO (US) 2001-05-31 WO disclosed
EP-1042299-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-10-11 EP disclosed
WO-1999032454-A1 NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-01 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 (8 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-20100063105-A1 PHARMACEUTICAL USES AND SYNTHESIS OF NICOTINANILIDE-N-OXIDES NNT, NAPRT, NNMT KEAP1 3146/4885CES2 395/4885CES1 1056/4885
US-20220348558-A1 INHIBITORS OF ENCEPHALITIC ALPHAVIRUSES NEFM, EIF2AK2, PMP22 KEAP1 2170/4885CES2 1076/4885CES1 1097/4885
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 KEAP1 645/4885CES2 2018/4885CES1 2542/4885
US-20040147739-A1 Novel anti-infectives RPL5, RPL7, RPL35 KEAP1 1649/4885CES2 156/4885CES1 598/4885
US-11939314-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 KEAP1 630/4885CES2 2461/4885CES1 2514/4885
US-20230028687-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 KEAP1 630/4885CES2 2461/4885CES1 2514/4885
US-20250026726-A1 QUINAZOLINONE DIONE COMPOUNDS AND USES THEREOF TNNI3, TNNT2, MYLK2 KEAP1 503/4885CES2 1379/4885CES1 2285/4885
US-12559464-B2 Quinazolinone dione compounds and uses thereof TNNI3, TNNT2, TNNC1 KEAP1 1425/4885CES2 1762/4885CES1 974/4885

“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.