SCHEMBL9680952

SCHEMBL9680952

Fc1ccc(-c2ccno2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4B Q07343 3/20 0.40
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
SLC9A1 P19634 1/20 0.39
NOTUM Q6P988 1/20 0.38
KMO O15229 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACKR3 P25106 1/20 0.38
PDE4D Q08499 1/20 0.37
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL29541717 1.00 EPHX2 (0.43) EPHX2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL9681107 0.84 EPHX2 (0.47) EPHX2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL4053851 0.77 EPHX2 (0.67) EPHX2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL6817772 0.75 CYP1A2 (0.47) EPHX2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL29541546 0.75 CYP1A2 (0.47) EPHX2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL29541410 0.75 NOTUM (0.41) EPHX2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL29542034 0.73 EPHX2 (0.44) EPHX2GAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL9135463 0.72 ALDH1A1 (0.52) ALDH1A1KDM4EKMO
SCHEMBL3691118 0.72 SLC9A1 (0.36) GAAALDH1A1PDE4BMGAMSI
SCHEMBL8375031 0.72 ACKR3 (0.47) GAAALDH1A1KDM4EPDE4BMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486782-A1 Improved process for the synthesis of alpha-((dialkylamino)substituted-methylene)-beta-oxo-(substituted) propanenitriles AMERICAN CYANAMID COMPANY (US) 1992-05-27 EP claimed
US-5103015-A 5-(substituted)isoxazole compounds AMERICAN CYANAMID COMPANY (US) 1992-04-07 US claimed
US-20250325534-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-10-23 US disclosed
US-20240343717-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-10-17 US disclosed
CN-109068631-A Solvent-free formulations of low melting active ingredients 拜耳作物科学股份公司 2018-12-21 CN 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-20250325534-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES IFNG, NOX1, CYP1A1 EPHX2 1264/4885GAA 1396/4885ALDH1A1 939/4885
US-20240343717-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES NOX1, CASP1, CYP51A1 EPHX2 2219/4885GAA 1659/4885ALDH1A1 533/4885

“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.