SCHEMBL634076

SCHEMBL634076

NC(=O)c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PTGS1 P23219 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDPK1 O15530 1/20 0.41
PDK2 Q15119 1/20 0.41
CYP3A4 P08684 1/20 0.40
CD38 P28907 1/20 0.40
TAS2R14 Q9NYV8 2/20 0.40

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
SCHEMBL30554614 1.00 PARP1 (0.47) PARP1LMNAGAAPTGS1CTSS
Hydrochloric Acid SCHEMBL7069187 0.98 PARP1 (0.46) PARP1LMNAGAAPTGS1CTSS
Acetic Acid SCHEMBL6002290 0.93 PARP1 (0.43) PARP1LMNAGAAPTGS1CTSS
Trifluoroacetic Acid SCHEMBL4002171 0.93 L3MBTL1 (0.43) PARP1LMNAGAAPTGS1CTSS
Succinic Acid SCHEMBL3925286 0.90 AURKA (0.42) PARP1LMNAGAAPTGS1AURKA
SCHEMBL27722750 0.88 PARP1 (0.49) PARP1GAAAURKAKDM4EALDH1A1
SCHEMBL28322785 0.87 LMNA (0.46) PARP1LMNAGAAPTGS1CTSS
Hydrochloric Acid SCHEMBL3705049 0.87 PARP1 (0.44) PARP1LMNAGAAPTGS1CTSS
SCHEMBL2484728 0.84 PARP1 (0.51) PARP1LMNAGAAPTGS1AURKA
SCHEMBL23041398 0.84 LMNA (0.48) LMNAGAAPTGS1CTSSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774773-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-02-17 EP claimed
WO-2019200161-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE DESIGN THERAPEUTICS INC. (US) 2019-10-17 WO claimed
EP-3452460-A1 HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS FOR CONTROLLING ECTOPARASITES Elanco Tiergesundheit AG (CH) 2019-03-13 EP claimed
WO-2017192385-A1 HETEROARYL-1,2,4-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS FOR CONTROLLING ECTOPARASITES ELANCO TIERGESUNDHEIT AG (CH) 2017-11-09 WO claimed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
WO-2008066890-A2 POLYAMIDES WITH TAIL STRUCTURES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-06-05 WO claimed
WO-2006062478-A1 NOVEL TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2006-06-15 WO claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
WO-2001021160-B1 CARBOXYMIDE AND ANILINE DERIVATIVES AS SELECTIVE INHIBITORS OF PATHOGENS AXXIMA PHARMACEUTICALS AG (DE) 2002-05-30 WO claimed
EP-4727954-A1 HEPARAN SULFATE GLYCOMIMETIC COMPOUNDS, THEIR USES AND INTERMEDIATES FOR THEIR PREPARATION Victoria Link Limited (NZ) 2026-04-22 EP disclosed
US-12583851-B2 Heteroaryl-substituted pyrazine derivatives as pesticides ELANCO ANIMAL HEALTH GMBH (DE) 2026-03-24 US disclosed
WO-2024258295-A1 HEPARAN SULFATE GLYCOMIMETIC COMPOUNDS, THEIR USES AND INTERMEDIATES FOR THEIR PREPARATION DEVLIN RORY GERARD (NZ) 2024-12-19 WO disclosed
EP-4392408-A1 PYRAZINE COMPOUNDS FOR THE CONTROL OF INVERTEBRATE PESTS BASF SE (DE) 2024-07-03 EP disclosed
WO-2024123815-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-13 WO disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-6821964-B2 FOR PROPHYLAXIS AND THERAPY OF DISEASES ASSOCIATED WITH MONOCYTE ACCUMULATION, LYMPHOCYTE ACCUMULATION OR LEUCOCYTE ACCUMULATION PFIZER INC 2004-11-23 US disclosed
US-6506951-B1 Process for producing brominated trifluoromethylbenzenes CENTRAL GLASS COMPANY, LIMITED (JP) 2003-01-14 US disclosed
US-6326517-B1 REACTIN AN AROMATIC COMPOUND WITH CARBON MONOXIDE AND AMMONIA CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-04 US disclosed
EP-0888336-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)P IPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997030989-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 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 (2 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-12583851-B2 Heteroaryl-substituted pyrazine derivatives as pesticides CBR3, CYCS, CWC15 PARP1 4707/4885LMNA 2168/4885GAA 4709/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 PARP1 2802/4885LMNA 4468/4885GAA 4545/4885

“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.