SCHEMBL163605

SCHEMBL163605

O=Cc1c(F)cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.41
KIF11 P52732 1/20 0.41
ERN1 O75460 1/20 0.39
NFKB1 P19838 1/20 0.39
NFE2L2 Q16236 4/20 0.39
PTGES2 Q9H7Z7 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
KAT6A Q92794 1/20 0.36
IKBKB O14920 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
Fluoride SCHEMBL31028112 0.98 SLC22A12 (0.40) SLC22A12KIF11ERN1NFKB1NFE2L2
SCHEMBL989191 0.87 NFKB1 (0.44) KIF11NFKB1MEN1ALDH1A1KMT2A
SCHEMBL10767283 0.84 ERN1 (0.37) SLC22A12KIF11ERN1NFE2L2MEN1
SCHEMBL25532589 0.82 CA2 (0.40) SLC22A12ERN1NFE2L2MEN1ALDH1A1
SCHEMBL95708 0.79 ERN1 (0.50) ERN1NFE2L2MEN1ALDH1A1KMT2A
SCHEMBL21135913 0.79 SLC22A12 (0.38) SLC22A12KIF11NFE2L2PTGES2KAT6A
SCHEMBL6854167 0.79 NFKB1 (0.47) ERN1NFKB1MEN1ALDH1A1KMT2A
SCHEMBL5407423 0.79 HSD11B1 (0.38) SLC22A12NFE2L2PTGES2KAT6AHSD11B1
SCHEMBL28114013 0.79 NFKB1 (0.39) KIF11NFKB1MEN1ALDH1A1KMT2A
SCHEMBL909840 0.78 MEN1 (0.61) SLC22A12NFKB1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624148-A Polyhydroxy sulfonium salt derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-03-01 CN claimed
CN-112679374-A Preparation method of 2-fluoro-6- (trifluoromethyl) benzamide 湖南复瑞生物医药技术有限责任公司 2021-04-20 CN claimed
CN-110835292-A Method for preparing 2-fluoro-6-trifluoromethylbenzaldehyde by adopting continuous flow reaction device 北京海美桐医药科技有限公司 2020-02-25 CN claimed
CN-110669013-A Preparation method of oxalagogri intermediate 江苏海悦康医药科技有限公司 2020-01-10 CN claimed
CN-103044227-A (2E, 6E)-2,6-bis(benzylidene)cyclohexanone analogue and preparation method and application thereof UNIV MUDANJIANG MEDICAL 2013-04-17 CN claimed
US-8034936-B2 Spirocyclic cyclohexane compounds useful to treat substance dependency GRUENENTHAL GMBH (DE) 2011-10-11 US claimed
US-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2011-03-03 US claimed
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 US claimed
US-6150378-A 1-((1-HALO-SUBSTITUTEDBENZOYLAMINO)-2-PHENYLETHYL)-CARBONYL -CARBONYLAMINO),2-PHENYL OR PYRID-2-YLSULFAMIDO)ETHANE DERIVATIVES; MUSCULAR DYSTROPHY, NEURODEGENERATION, STROKE, ALZHEIMER'S, AMYOTROPHY, MOTOR NEURON DAMAGE, CNS INJURY CEPHALON, INC. (US) 2000-11-21 US claimed
EP-4703361-A1 PYRIDAZINONE TRPC4/5 INHIBITOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2026-03-04 EP disclosed
EP-4665735-A1 KRAS INHIBITORS Erasca, Inc. (US) 2025-12-24 EP disclosed
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 US disclosed
US-12281057-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-22 US disclosed
CN-119816484-A Novel piperazine derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2025-04-11 CN disclosed
EP-0768301-A1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists ELI LILLY AND COMPANY (US) 1997-04-16 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed
EP-0688766-A1 Phenylsubstituted alkenyl-carboxylic-acid-guanidines containing perfluoroalkyl groups, process for their preparation, their use as medicament or diagnostic agent, as well as a medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-27 EP disclosed
US-4686217-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS FISONS PLC (GB) 1987-08-11 US disclosed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP disclosed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 EP 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 (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-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 SLC22A12 568/4885KIF11 4104/4885ERN1 1000/4885
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 SLC22A12 128/4885KIF11 1900/4885ERN1 3094/4885
US-12281057-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A SLC22A12 805/4885KIF11 4446/4885ERN1 2993/4885

“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.