SCHEMBL1855402

SCHEMBL1855402

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 3/20 0.36
PPARA Q07869 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR2C P28335 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL1860090 0.91 CYP1A2 (0.36) SMN1; SMN2ALDH1A1TP53PPARAMAPT
SCHEMBL1862331 0.89 WDR91 (0.39) SMN1; SMN2ALDH1A1TP53MAPTCA1
SCHEMBL1863141 0.89 HSD17B10 (0.40) SMN1; SMN2ALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL1863968 0.87 SMN1; SMN2 (0.52) SMN1; SMN2HTTTP53MAPTCA1
SCHEMBL1858994 0.87 TSHR (0.40) SMN1; SMN2ALDH1A1HTTTP53MAPT
SCHEMBL1862194 0.87 HDAC1 (0.42) ALDH1A1MAPTMEN1KMT2AHTR2C
SCHEMBL1860843 0.87 PPARA (0.46) SMN1; SMN2TP53PPARAMAPK1MEN1
SCHEMBL1860644 0.87 LMNA (0.39) LMNA
SCHEMBL1858885 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1L3MBTL1CA1CA2
SCHEMBL1860333 0.84 MEN1 (0.46) CA1CA2MEN1KMT2ARAB9A

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-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
EP-1997813-B1 SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL IND LTD (JP) 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

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-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE HCRTR1, HAX1, CHRM1 SMN1; SMN2 4230/4885JAK2 3381/4885ALDH1A1 297/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 SMN1; SMN2 4028/4885JAK2 3088/4885ALDH1A1 201/4885

“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.