SCHEMBL118964

SCHEMBL118964

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc(N(C)c2ccccc2[N+](=O)[O-])c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 5/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ACLY P53396 1/20 0.32
▸ MEP1B Q16820 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GFER P55789 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
SCHEMBL2683808 0.90 HTT (0.35) MAPTPOLBALDH1A1HTTLMNA
SCHEMBL2683749 0.89 MAPT (0.36) MAPTPOLBALDH1A1HTTLMNA
SCHEMBL2682967 0.88 TAS1R3 (0.38) ALDH1A1KDM4EACLYMEP1BTUBB4A
SCHEMBL11903079 0.88 HTT (0.36) MAPTPOLBALDH1A1HTTLMNA
SCHEMBL11902903 0.83 HTT (0.38) MAPTPOLBALDH1A1HTTLMNA
SCHEMBL2684319 0.80 HTT (0.33) MAPTPOLBALDH1A1HTTLMNA
SCHEMBL2681599 0.80 MAPT (0.40) MAPTPOLBALDH1A1HTTLMNA
SCHEMBL11902949 0.80 ADORA3 (0.38) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL118965 0.78 HTT (0.44) MAPTPOLBALDH1A1HTTLMNA
SCHEMBL1610210 0.78 MEP1B (0.33) ALDH1A1KDM4EMEP1BHPGDTUBB4A

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
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 — — US disclosed
EP-2424367-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION Syngenta Limited (GB) 2012-03-07 — — EP disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 — — 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 (2 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO MAPT 4272/4885POLB 1342/4885ALDH1A1 718/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG MAPT 1617/4885POLB 272/4885ALDH1A1 3537/4885

“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.

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