SCHEMBL1795659

SCHEMBL1795659

O=[N+]([O-])c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.33
GPR35 Q9HC97 1/20 0.33
MAPT P10636 3/20 0.32
PKM P14618 1/20 0.32
USP2 O75604 1/20 0.32
TTR P02766 1/20 0.31
AR P10275 5/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HPGD P15428 1/20 0.30
SIRT6 Q8N6T7 1/20 0.30
THRB P10828 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
SCHEMBL737953 0.88 NPC1 (0.35) MAPTUSP2ARCA1CA2
SCHEMBL472625 0.88 LMNA (0.42) MAPTUSP2ARCA1HPGD
SCHEMBL472288 0.88 MAPT (0.37) MAPTUSP2
SCHEMBL739419 0.86 USP2 (0.32) MAPTUSP2CA1CA2
SCHEMBL472629 0.86 MAPT (0.34) MAPTUSP2CA1CA2HPGD
SCHEMBL737376 0.85 SMN1; SMN2 (0.33) MAPTPKMUSP2TTRCA1
Ammonia Solution, Strong SCHEMBL27964641 0.85 MAPT (0.33) MAPTUSP2CA1CA2HPGD
SCHEMBL1798362 0.84 CASP1 (0.33) MAPTUSP2CA1CA2
SCHEMBL472676 0.84 NCOA1 (0.33) MAPTUSP2CA1CA2HPGD
SCHEMBL3116206 0.84 VCAM1 (0.44) MAPTUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987464-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-24 US disclosed
US-20140135496-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-05-15 US disclosed
US-8673951-B2 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-18 US disclosed
EP-1932836-B1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND HARMFUL ORGANISM-CONTROLLING AGENT NISSAN CHEMICAL IND LTD (JP) 2013-11-06 EP disclosed
US-20110144334-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-16 US disclosed
US-7951828-B1 Isoxazoline-substituted benzamide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-31 US disclosed
EP-1932836-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND HARMFUL ORGANISM-CONTROLLING AGENT Nissan Chemical Industries, Ltd. (JP) 2008-06-18 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-20110144334-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE OR10J3, OR51E2, ORMDL3 ALOX12 2045/4885GPR35 211/4885MAPT 4464/4885
US-20140135496-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE OR10J3, OR51E2, ODC1 ALOX12 3272/4885GPR35 392/4885MAPT 3914/4885

“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.