SCHEMBL1856768

SCHEMBL1856768

NCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
RECQL P46063 1/20 0.34
PKM P14618 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NPBWR1 P48145 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL1858613 0.89 RECQL (0.34) RECQLPKMCA1CA2KDM4E
Hydrochloric Acid SCHEMBL2045087 0.89 ORAI1 (0.35) TAAR1RECQLCA1CA2KDM4E
SCHEMBL3111479 0.88 RECQL (0.34) RECQLPKMCA1CA2KDM4E
SCHEMBL1858126 0.88 SSTR5 (0.39) RECQLPKMCA1CA2KDM4E
SCHEMBL16274185 0.87 RECQL (0.43) RECQLPKMKDM4EMAPT
SCHEMBL1611047 0.86 RECQL (0.36) RECQLPKM
SCHEMBL27964625 0.86 RECQL (0.31) RECQLPKM
SCHEMBL27964640 0.86 RECQL (0.33) RECQLPKM
SCHEMBL2022748 0.85 RECQL (0.30) RECQLKDM4EMAPT
SCHEMBL15641076 0.85 CA1 (0.31) RECQLCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101652354-B Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG 2014-06-18 CN disclosed
US-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
US-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
US-8242283-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-14 US disclosed
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-07-14 US disclosed
US-7947715-B2 Isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-05-24 US disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
EP-1997813-B1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL IND LTD (JP) 2010-05-05 EP disclosed
EP-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 EP disclosed
US-20090156643-A1 Substituted isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-18 US disclosed
EP-1997813-A1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2008-12-03 EP disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 WO disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 WO 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 (3 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-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES CYP4X1, AADAC, CYP3A7 TAAR1 583/4885RECQL 2346/4885PKM 2952/4885
US-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE HCRTR1, HAX1, CHRM1 TAAR1 174/4885RECQL 1097/4885PKM 4739/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 TAAR1 179/4885RECQL 1649/4885PKM 4737/4885

“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.