SCHEMBL1860700

SCHEMBL1860700

O=C1c2ccccc2C(=O)N1Cc1ccc(C2=NOC(c3cc(Br)c(F)c(Br)c3)(C(F)(F)F)C2)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
MIF P14174 3/20 0.33
P2RX7 Q99572 2/20 0.32
CHRM5 P08912 1/20 0.32
MAPT P10636 4/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TYR P14679 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM5 P41594 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
SCHEMBL981067 0.90 MAPT (0.34) MIFP2RX7CHRM5MAPTCYP1A2
SCHEMBL981094 0.88 GRM5 (0.33) AKR1B1MIFP2RX7CHRM5MAPT
SCHEMBL1305247 0.86 GRM5 (0.33) AKR1B1MIFMAPTCYP1A2CYP3A4
SCHEMBL1858374 0.82
SCHEMBL1860093 0.78 PKM (0.38) TSHRSMN1; SMN2
SCHEMBL1859165 0.77 KDM4E (0.32) MAPT
SCHEMBL1857922 0.77 PTGES (0.38) P2RX7MAPT
SCHEMBL12489682 0.76 KDM4E (0.39) MAPTTSHRMAPK1TYRSMN1; SMN2
SCHEMBL14722488 0.73 MAPT (0.35) P2RX7CHRM5MAPTCYP1A2CYP3A4
SCHEMBL1864476 0.72 RECQL (0.30) RECQL

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 4 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
US-20090156643-A1 Substituted isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-18 US 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 AKR1B1 175/4885MIF 4708/4885P2RX7 155/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 AKR1B1 129/4885MIF 4624/4885P2RX7 244/4885

“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.