SCHEMBL1547579

SCHEMBL1547579

C[N]c1cc(Cl)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.48
CYP3A4 P08684 3/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 4/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 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
SCHEMBL12305574 0.81 CYP3A4 (0.49) TP53CYP3A4MAPTCYP1A2CYP2C19
SCHEMBL1547648 0.80 TP53 (0.48) TP53CYP3A4MAPTCYP1A2CYP2C19
SCHEMBL3945931 0.78 ALDH1A1 (0.52) TP53CYP3A4MAPTCYP1A2CYP2C19
SCHEMBL11709272 0.75 TP53 (0.48) TP53CYP3A4MAPTCYP1A2CYP2C19
SCHEMBL11709281 0.75 TP53 (0.48) TP53CYP3A4MAPTCYP1A2CYP2C19
SCHEMBL11349652 0.75 TP53 (0.48) TP53CYP3A4MAPTCYP1A2CYP2C19
SCHEMBL30012086 0.75 TP53 (0.48) TP53CYP3A4MAPTCYP1A2CYP2C19
SCHEMBL507792 0.73 TP53 (0.46) TP53CYP3A4MAPTCYP1A2CYP2C19
SCHEMBL9777887 0.73 ALDH1A1 (0.47) TP53CYP3A4MAPTTSHRALDH1A1
SCHEMBL30585174 0.73 TP53 (0.46) TP53CYP3A4MAPTCYP1A2CYP2C19

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 TP53 4820/4885CYP3A4 95/4885MAPT 2335/4885

“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.