SCHEMBL1720119

SCHEMBL1720119

NC(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.53
CHEK2 O96017 2/20 0.48
CASP1 P29466 1/20 0.47
IDO1 P14902 1/20 0.47
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
BCAT2 O15382 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SLC2A1 P11166 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CASP3 P42574 1/20 0.44

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
Hydrochloric Acid SCHEMBL30153746 0.98 PARP1 (0.52) PARP1CHEK2CASP1IDO1KCNQ3
SCHEMBL8297932 0.85 MAP4K4 (0.54) CHEK2CASP1MKNK1MKNK2
SCHEMBL1719358 0.83 KCNQ3 (0.49) PARP1CHEK2KCNQ3KCNQ2KCNE1
SCHEMBL31163926 0.83 KCNQ3 (0.49) PARP1CHEK2KCNQ3KCNQ2KCNE1
SCHEMBL3170407 0.83 CES2 (0.64) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL10399614 0.83 SRD5A2 (0.53) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL1437521 0.81 CES2 (0.47) CASP1IDO1KCNQ3KCNQ2KCNE1
SCHEMBL4072517 0.81 IDO1 (0.46) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL109599 0.81 TSHR (0.65) KCNQ3KCNQ2KCNE1KCNQ1NPC1
SCHEMBL9693915 0.81 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022187387-A9 COMPOSITIONS AND METHODS FOR MODULATING EPITHELIAL-MESENCHYMAL TRANSITION AUCKLAND UNISERVICES LIMITED (NZ) 2023-10-05 WO claimed
CN-110642741-A Functionalized benzamide derivatives as antiviral agents against HBV infection 巴鲁克斯布隆伯格研究所 2020-01-03 CN claimed
US-20190092720-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2019-03-28 US claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-20150307443-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2015-10-29 US claimed
EP-2928459-A2 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION Baruch S. Blumberg Institute (US) 2015-10-14 EP claimed
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 EP claimed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US claimed
WO-2014089296-A2 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION INSTITUTE FOR HEPATITIS AND VIRUS RESEARCH (US) 2014-06-12 WO claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
WO-2006053778-A2 AMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-26 WO claimed
US-20060106037-A1 Purin-6-one-derivatives ALTANA PHARMA AG (DE) 2006-05-18 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1601675-A1 PURIN-6-ONE-DERIVATIVES ALTANA Pharma AG (DE) 2005-12-07 EP claimed
WO-2004089953-A1 PURIN-6-ONE-DERIVATIVES ALTANA PHARMA AG (DE) 2004-10-21 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed

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-20190092720-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, PHB2, PHB1 PARP1 609/4885CHEK2 4414/4885CASP1 3198/4885
US-20150307443-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, PHB2, PHB1 PARP1 666/4885CHEK2 4394/4885CASP1 3327/4885
US-20060106037-A1 Purin-6-one-derivatives PDE4B, PDE4A, PDE2A PARP1 267/4885CHEK2 856/4885CASP1 2787/4885

“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.