SCHEMBL1860192

SCHEMBL1860192

O=C(NCc1ccc(Cl)c(C=NO)c1Cl)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 4/20 0.42
THRB P10828 1/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
P2RX7 Q99572 3/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL1860189 1.00 PKM (0.42) PKMCYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL1860596 0.80 CYP2D6 (0.47) PKMCYP2D6CYP2C19EPHX2MEN1
SCHEMBL1860595 0.80 CYP2D6 (0.47) PKMCYP2D6CYP2C19EPHX2MEN1
SCHEMBL30799454 0.71 EPHX2 (0.49) PKMCYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL21995910 0.71 EPHX2 (0.49) PKMCYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL2467120 0.71 NPC1 (0.66) PKMALDH1A1LMNAEPHX2THRB
Formic Acid SCHEMBL5073526 0.70 ALDH1A1 (0.60) PKMCYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL2635463 0.70 ERCC1 (0.55) ALDH1A1LMNAEPHX2KMT2A
SCHEMBL1865276 0.69 CYP2D6 (0.50) PKMCYP2D6CYP2C19ALDH1A1LMNA
SCHEMBL1860190 0.69 CA12 (0.47) PKMCYP2D6CYP2C19EPHX2MEN1

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 PKM 4739/4885CYP2D6 1168/4885CYP2C19 800/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 PKM 4737/4885CYP2D6 917/4885CYP2C19 525/4885

“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.