SCHEMBL1546431

SCHEMBL1546431

C[N]c1cccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
TSHR P16473 3/20 0.42
PNMT P11086 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
GALR3 O60755 1/20 0.39
CYP2A6 P11509 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37

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
SCHEMBL8602763 0.79 S100B (0.50) S100BITGB3ITGAVTSHRPNMT
SCHEMBL1547384 0.79
SCHEMBL4130846 0.78 POLB (0.52) S100BITGB3ITGAVTSHRCYP1A2
SCHEMBL11687193 0.77 S100B (0.48) S100BITGB3ITGAVTSHRPNMT
SCHEMBL11112707 0.75 S100B (0.47) S100BITGB3ITGAVTSHRPNMT
SCHEMBL12463823 0.75 S100B (0.47) S100BITGB3ITGAVTSHRPNMT
SCHEMBL3304879 0.75 S100B (0.47) S100BITGB3ITGAVTSHRPNMT
SCHEMBL12441830 0.75 S100B (0.47) S100BITGB3ITGAVTSHRPNMT
SCHEMBL8165573 0.75 PNMT (0.45) S100BITGB3ITGAVTSHRPNMT
Ammonia Solution, Strong SCHEMBL11452982 0.73 S100B (0.46) S100BITGB3ITGAVTSHRPNMT

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
EP-2311816-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed
EP-2311817-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed
EP-2308858-A1 Isoxazoline Compounds and their Use in Pest Control Sumitomo Chemical Company, Limited (JP) 2011-04-13 EP disclosed
US-20100137372-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
EP-2139874-A2 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2010-01-06 EP disclosed
WO-2008126665-A2 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO 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 (1 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-20100137372-A1 ISOXAZOLINE COMPOUNDS AND THEIR USE IN PEST CONTROL CYP4X1, PRDX5, PRDX1 S100B 4771/4885ITGB3 3447/4885ITGAV 3038/4885

“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.