SCHEMBL1857748

SCHEMBL1857748

O=C(NCc1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Cl)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX7 Q99572 3/20 0.40
EPHX2 P34913 4/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 2/20 0.39
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PLA2G1B P04054 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
NPC1 O15118 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
SCHEMBL980954 0.86 TRPV1 (0.35) LMNAGAAPOLBNPSR1P2RX7
SCHEMBL2518670 0.86 EPHX2 (0.38) LMNAGAAPOLBNPSR1P2RX7
SCHEMBL981224 0.85 TRPV1 (0.36) LMNAGAAPOLBNPSR1P2RX7
SCHEMBL2524299 0.84 MTOR (0.37) LMNAGAAPOLBNPSR1EPHX2
SCHEMBL2522173 0.84 MTOR (0.37) LMNAGAAPOLBNPSR1EPHX2
SCHEMBL15803905 0.84 EPHX2 (0.38) LMNAGAAPOLBNPSR1P2RX7
SCHEMBL979648 0.83 TRPV1 (0.35) LMNAGAAPOLBNPSR1P2RX7
SCHEMBL1303776 0.83 EPHX2 (0.35) LMNAGAAPOLBNPSR1P2RX7
SCHEMBL12069084 0.83 BTK (0.37) GAAP2RX7EPHX2HTTCYP2D6
SCHEMBL980939 0.83 TRPV1 (0.35) LMNAGAAPOLBNPSR1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268754-B2 Substituted dihydroazole compound and pest control agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-09-18 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-20100298558-A1 SUBSTITUTED DIHYDROAZOLE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-25 US disclosed
EP-2230230-A1 SUBSTITUTED DIHYDROAZOLE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2010-09-22 EP 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 (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-20110172414-A1 ISOXAZOLINE COMPOUND AND PESTICIDE HCRTR1, HAX1, CHRM1 LMNA 1310/4885GAA 4528/4885POLB 4066/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 LMNA 1943/4885GAA 4547/4885POLB 4278/4885
US-20100298558-A1 SUBSTITUTED DIHYDROAZOLE COMPOUND AND PEST CONTROL AGENT H1-0, H1-2, H1-4 LMNA 1667/4885GAA 4185/4885POLB 4091/4885

“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.