SCHEMBL4700339

SCHEMBL4700339

O=c1[nH]cnn1-c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
MAPK11 Q15759 3/20 0.42
MAPK14 Q16539 3/20 0.42
ALOX5 P09917 2/20 0.41
GAA P10253 1/20 0.40
HCAR1 Q9BXC0 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
ADRB1 P08588 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL5905902 0.80 MEN1 (0.43) MGLLMAPK14HCAR1SMN1; SMN2
SCHEMBL4698683 0.80 MGLL (0.43) MGLLMAPK14ALOX5HCAR1ALDH1A1
SCHEMBL4700341 0.79 ALOX12 (0.48) HCAR1ALDH1A1GSK3BKDM4EMAPT
SCHEMBL461726 0.75 ALDH1A1 (0.46) GAAALDH1A1GSK3BKDM4EMAPT
SCHEMBL5905865 0.73 MGLL (0.43) MGLLMAPK11MAPK14ALOX5GAA
SCHEMBL5906196 0.72 SMN1; SMN2 (0.42) MGLLALOX5GAAALDH1A1MAPT
SCHEMBL5906387 0.71 MGLL (0.44) MGLLALOX5GAAHCAR1ALDH1A1
SCHEMBL5471194 0.71 MEN1 (0.60) MAPK14GAAALDH1A1GSK3BMAPT
SCHEMBL28026330 0.70 MAPK14 (0.49) MGLLMAPK11MAPK14ALOX5GAA
SCHEMBL29833591 0.70 CDK4 (0.50) MGLLMAPK11MAPK14HCAR1ALDH1A1

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
EP-0974587-B1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEM IND CO (JP) 2008-04-23 EP disclosed
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US disclosed
US-6077814-A LOW PHYTOTOXICITY TO THE CROP PLANTS; SELECTIVE ACTIVITY HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2000-06-20 US disclosed
EP-0974587-A1 1-SUBSTITUTED 4-CARBAMOYL-1,2,4-TRIAZOL-5-ONE DERIVATIVES AND HERBICIDE HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2000-01-26 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-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 MGLL 2851/4885MAPK11 4225/4885MAPK14 4410/4885

“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.