SCHEMBL1801082

SCHEMBL1801082

COCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SSTR5 P35346 3/20 0.32
RECQL P46063 2/20 0.32
DCLRE1B Q9H816 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1801804 0.92 PDK2 (0.34) CA1CA2F2F10PRSS1
SCHEMBL1797708 0.92 ACVR1 (0.37) CA1CA2SSTR5F2F10
SCHEMBL14727965 0.91 ACLY (0.35) ACLYCA1CA2SSTR5RECQL
SCHEMBL1795774 0.88 ACLY (0.33) ACLYCA1CA2SSTR5RECQL
SCHEMBL1798501 0.88 F2 (0.32) CA1CA2F2F10PRSS1
SCHEMBL3457034 0.88 ACLY (0.35) ACLYCA1CA2SSTR5RECQL
SCHEMBL739721 0.86 NR3C2 (0.37) CA1CA2RECQLALDH1A1
SCHEMBL1798500 0.85 SMN1; SMN2 (0.32) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL2014009 0.84 RXRB (0.41) CA1CA2RECQLKDM4E
SCHEMBL362701 0.84 RXRB (0.41) CA1CA2RECQLKDM4E

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 6 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
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 ACLY 1465/4885S1PR1 2759/4885S1PR3 1999/4885
US-20140135496-A1 ISOXAZOLINE-SUBSTITUTED BENZAMIDE COMPOUND AND PESTICIDE OR10J3, OR51E2, ODC1 ACLY 688/4885S1PR1 3958/4885S1PR3 3190/4885

“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.