SCHEMBL7216919

SCHEMBL7216919

N#C[CH]c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.52
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
FBP1 P09467 2/20 0.43
CHAT P28329 1/20 0.43
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL10547196 0.84 AR (0.48) CHRM5MAPTGAACYP1A2CYP2C9
SCHEMBL6222770 0.79 ENPP2 (0.56) CHRM5MAPTGAACYP1A2CYP2C9
SCHEMBL6222767 0.79 ENPP2 (0.56) CHRM5MAPTGAACYP1A2CYP2C9
SCHEMBL3218827 0.78 CHRM5 (0.52) CHRM5MAPTGAACYP1A2CYP2C9
SCHEMBL10547225 0.75 ALDH1A1 (0.51) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL11232522 0.75 MAPT (0.38) MAPTGAAKMT2AALDH1A1KDM4E
SCHEMBL10548359 0.75 PTPN5 (0.36) MAPTGAAKMT2AALDH1A1KDM4E
SCHEMBL6382576 0.74 LCK (0.52) MAPTKMT2AALDH1A1KDM4EFBP1
SCHEMBL7218728 0.74 TP53 (0.54) MAPTGAACYP1A2KMT2AALDH1A1
SCHEMBL525893 0.74 NFE2L2 (0.58) CHRM5MAPTCYP1A2PKMFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA LIMITED (UK) 2016-02-25 US disclosed
EP-2978316-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS Syngenta Participations AG (CH) 2016-02-03 EP disclosed
WO-2014154488-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2014-10-02 WO disclosed
US-6531612-B2 Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis HOFFMAN-LA ROCHE INC. 2003-03-11 US disclosed
EP-0828739-B1 BICYCLIC AMINES AS INSECTICIDES SYNGENTA LTD (GB) 2002-09-11 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 (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-20160050930-A1 METHODS OF CONTROLLING NEONICOTINOID RESISTANT PESTS DDT, CRY1, NISCH CHRM5 490/4885MAPT 4375/4885GAA 3956/4885

“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.