SCHEMBL1863141

SCHEMBL1863141

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
HPGD P15428 5/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX12 P18054 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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 0.90 CYP1A2 (0.36) HPGDALDH1A1MAPTRXFP1SMN1; SMN2
SCHEMBL1858994 0.90 TSHR (0.40) ALDH1A1LMNAKDM4EMAPK1MAPT
SCHEMBL1855402 0.89 SMN1; SMN2 (0.38) ALDH1A1LMNAMAPK1MAPTRXFP1
SCHEMBL14234099 0.89 HSD17B10 (0.34) HSD17B10HPGDALDH1A1LMNAKDM4E
SCHEMBL1862331 0.88 WDR91 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL1858885 0.85 SMN1; SMN2 (0.43) ALDH1A1LMNAKDM4ESMN1; SMN2CYP1A2
SCHEMBL1860644 0.85 LMNA (0.39) LMNA
SCHEMBL1863968 0.84 SMN1; SMN2 (0.52) LMNAKDM4EMAPTSMN1; SMN2GAA
SCHEMBL1862194 0.83 HDAC1 (0.42) HPGDALDH1A1LMNAMAPTGAA
SCHEMBL1860843 0.83 PPARA (0.46) MAPK1SMN1; SMN2CYP1A2CYP2C19RAB9A

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 HSD17B10 830/4885HPGD 3743/4885ALDH1A1 297/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 HSD17B10 795/4885HPGD 3784/4885ALDH1A1 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.