SCHEMBL6325002

SCHEMBL6325002

ON(CCl)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.42
CHKA P35790 1/20 0.42
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 4/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2C19 P33261 4/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2D6 P10635 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MPO P05164 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6314853 0.74 KCNA5 (0.40) CYP1A2CYP3A4CYP2D6KDM4ECYP2A6
SCHEMBL19863353 0.71
SCHEMBL3416208 0.70 CHRM5 (0.58) CHRM5CHKAMAPTLMNACYP2D6
Methyl Alcohol SCHEMBL28737572 0.69 CHRM5 (0.57) CHRM5CHKAMAPTLMNACYP2D6
Methylene Chloride SCHEMBL1812531 0.68 CHRM5 (0.80) CHRM5CHKAMAPTLMNACYP3A4
SCHEMBL11968930 0.68 CHRM5 (0.55) CHRM5CHKAMAPTLMNACYP1A2
SCHEMBL16433889 0.67
1,2-Dichloroethane SCHEMBL27766751 0.67 CHRM5 (0.76) CHRM5CHKAMAPTLMNACYP3A4
SCHEMBL2912485 0.66
SCHEMBL27870794 0.66 CHRM5 (0.52) CHRM5CHKAMAPTLMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 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 (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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 CHRM5 4162/4885CHKA 244/4885MAPT 281/4885

“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.