SCHEMBL9491002

SCHEMBL9491002

N#Cc1cc(F)c(F)c(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.40
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
VCAM1 P19320 1/20 0.35
KHK P50053 1/20 0.34
TTR P02766 2/20 0.33
ALB P02768 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN2 Q96KS0 2/20 0.33
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPAS1 Q99814 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL17546133 0.87 TRPV4 (0.39) TRPV4CYP11B1CYP11B2VCAM1KHK
SCHEMBL157603 0.85 CES2 (0.42) TRPV4CYP11B1CYP11B2CES2CES1
SCHEMBL17545813 0.81 TRPV4 (0.35) TRPV4CYP11B1CYP11B2VCAM1KHK
SCHEMBL10877908 0.79 TRPV4 (0.46) TRPV4CYP11B1CYP11B2VCAM1KHK
SCHEMBL1996117 0.78 TRPV4 (0.41) TRPV4CYP11B1CYP11B2CES2CES1
SCHEMBL16122304 0.77 TSHR (0.37) TRPV4CYP11B1CYP11B2VCAM1TTR
SCHEMBL16122643 0.77 GRM5 (0.42) TRPV4CYP11B2VCAM1KHKALDH1A1
SCHEMBL11981507 0.77 TRPV4 (0.38) TRPV4CYP11B1CYP11B2VCAM1KHK
SCHEMBL16122332 0.77 TTR (0.50) TRPV4CYP11B1CYP11B2VCAM1TTR
SCHEMBL807520 0.77 TRPV4 (0.34) TRPV4CYP11B1CYP11B2VCAM1KHK

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497363-B2 Isophthalonitrile compound, luminescent material and luminescent element using the same KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2025-12-16 US disclosed
EP-3985081-B1 ISOPHTHALONITRILE COMPOUNDS, LUMINESCENT MATERIAL, AND LUMINESCENT ELEMENT INCLUDING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2025-03-12 EP disclosed
CN-113939501-B Isophthalonitrile compound, light-emitting material, and light-emitting element using same 国立大学法人九州大学 2024-10-22 CN disclosed
US-20220242822-A1 ISOPHTHALONITRILE COMPOUND, LUMINESCENT MATERIAL AND LUMINESCENT ELEMENT USING THE SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-08-04 US disclosed
EP-3985081-A1 ISOPHTHALONITRILE COMPOUNDS, LUMINESCENT MATERIAL, AND LUMINESCENT ELEMENT INCLUDING SAME Kyushu University, National University Corporation (JP) 2022-04-20 EP disclosed
CN-113939501-A Isophthalonitrile compound, light-emitting material, and light-emitting element using same 国立大学法人九州大学 2022-01-14 CN disclosed
WO-2020250851-A1 ISOPHTHALONITRILE COMPOUNDS, LUMINESCENT MATERIAL, AND LUMINESCENT ELEMENT INCLUDING SAME 国立大学法人九州大学 2020-12-17 WO disclosed
EP-0307897-B1 TRIFLUOROBENZENE COMPOUNDS AND PROCESS FOR PRODUCING THE SAME SDS Biotech K.K. (JP) 1993-03-17 EP disclosed
US-5068411-A Hydrolysis of 2,4,5-trifluoroisophthalonitrile in the presence of sulfuric acid to form 2,4,5-trifluoroisophthalic acid SDS BIOTECH K.K. (JP) 1991-11-26 US disclosed
US-5021605-A Chemical intermediates SDS BIOTECH K.K. (JP) 1991-06-04 US disclosed
US-4925966-A DEFLUORINATION OF TETRAFLUOROISOPHTHALONITRILE WITH METAL HYDRIDE TO MAKE 2,4,5-TRIFLURORISOPHTHALONITRILE SDS BIOTECH K.K. (JP) 1990-05-15 US disclosed
EP-0307897-A1 Trifluorobenzene compounds and process for producing the same SDS Biotech K.K. (JP) 1989-03-22 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 (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-12497363-B2 Isophthalonitrile compound, luminescent material and luminescent element using the same EPB41L2, NMRAL1, HNRNPH3 TRPV4 938/4885CYP11B1 3373/4885CYP11B2 3240/4885
US-20220242822-A1 ISOPHTHALONITRILE COMPOUND, LUMINESCENT MATERIAL AND LUMINESCENT ELEMENT USING THE SAME EPB41L2, NMRAL1, HNRNPH3 TRPV4 938/4885CYP11B1 3373/4885CYP11B2 3240/4885

“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.