SCHEMBL1727083

SCHEMBL1727083

N#Cc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.73
TRPV4 Q9HBA0 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP3A5 P20815 1/20 0.49
KDM1A O60341 2/20 0.41
SLC22A12 Q96S37 3/20 0.38
AR P10275 3/20 0.38

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
SCHEMBL30168580 1.00 KIF11 (0.73) KIF11TRPV4CYP3A4CYP3A5KDM1A
SCHEMBL8574981 0.86 KIF11 (0.56) KIF11TRPV4CYP3A4CYP3A5
SCHEMBL17888539 0.84 KIF11 (0.54) KIF11TRPV4CYP3A4CYP3A5SLC22A12
SCHEMBL5358402 0.84 KIF11 (0.54) KIF11TRPV4CYP3A4CYP3A5
SCHEMBL29421437 0.83 KIF11 (0.58) KIF11TRPV4CYP3A4CYP3A5SLC22A12
SCHEMBL185191 0.83 KIF11 (0.58) KIF11TRPV4CYP3A4CYP3A5SLC22A12
SCHEMBL7569957 0.83 TRPV4 (0.58) KIF11TRPV4CYP3A4CYP3A5SLC22A12
SCHEMBL12203344 0.82 KIF11 (0.51) KIF11TRPV4CYP3A4CYP3A5SLC22A12
SCHEMBL2636950 0.81 KIF11 (0.51) KIF11TRPV4CYP3A4CYP3A5SLC22A12
SCHEMBL6209867 0.79 KIF11 (0.53) KIF11KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206469-A Synthesis method of 3-hydroxy-4- (trifluoromethyl) benzonitrile 峰成医药科技(天津)有限公司 2024-06-18 CN claimed
CN-114230486-A Preparation method of 2-fluoro-4-cyano benzotrifluoride 阜新金特莱氟化学有限责任公司 2022-03-25 CN claimed
CN-112979498-A Preparation method of 3-fluoro-4-trifluoromethyl benzonitrile 内蒙古蓝科生物科技有限公司 2021-06-18 CN claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
CN-101337911-A Method for preparing 3-fluor-4-trifluoromethylbenzonitrile FUXIN CUSTCHEM FINE CHEMICAL C (CN) 2009-01-07 CN claimed
EP-0594317-B1 Cyanoacrylate adhesives with improved cured thermal properties utilizing substituted aromatic additive LOCTITE CORP (US) 1997-09-03 EP claimed
US-5288794-A Benzene compounds substituted with two or more electron withdrawing groups and one or more leaving groups delay onset of thermal decomposition LOCTITE CORPORATION (US) 1994-02-22 US claimed
EP-3887359-B1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING UNIV COPENHAGEN (DK) 2026-05-06 EP disclosed
CN-118206469-A Synthesis method of 3-hydroxy-4- (trifluoromethyl) benzonitrile 峰成医药科技(天津)有限公司 2024-06-18 CN disclosed
CN-118206469-A Synthesis method of 3-hydroxy-4- (trifluoromethyl) benzonitrile 峰成医药科技(天津)有限公司 2024-06-18 CN disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
EP-4157823-A1 COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-04-05 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed
WO-2005044784-A1 AMIDOACETONITRILE DERIVATIVES NOVARTIS AG (CH) 2005-05-19 WO disclosed
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-10-07 US disclosed
WO-2004085406-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
WO-2004052845-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS VANILLOID RECEPTOR ANTAGONISTS BAYER HEALTHCARE AG (DE) 2004-06-24 WO disclosed
EP-0594317-B1 Cyanoacrylate adhesives with improved cured thermal properties utilizing substituted aromatic additive LOCTITE CORP (US) 1997-09-03 EP disclosed
US-5288794-A Benzene compounds substituted with two or more electron withdrawing groups and one or more leaving groups delay onset of thermal decomposition LOCTITE CORPORATION (US) 1994-02-22 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 (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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B KIF11 4532/4885TRPV4 832/4885CYP3A4 490/4885
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLR2A, POLR2E KIF11 3125/4885TRPV4 4668/4885CYP3A4 264/4885

“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.