SCHEMBL2683752

SCHEMBL2683752

C=Cc1c(NCc2ccccc2[N+](=O)[O-])nc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
ALDH3A1 P30838 1/20 0.36
POLB P06746 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL2684322 0.90 HTT (0.40) HTTMAPTALDH1A1KDM4EMEN1
SCHEMBL10087224 0.89 SMN1; SMN2 (0.39) MAPTMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL118965 0.89 HTT (0.44) HTTMAPTALDH1A1KDM4EMEN1
SCHEMBL11903081 0.87 HTT (0.43) HTTMAPTALDH1A1KDM4EMEN1
SCHEMBL118741 0.81 MAPT (0.39) HTTMAPTALDH1A1KDM4EMEN1
SCHEMBL2683749 0.80 MAPT (0.36) HTTMAPTALDH1A1KDM4EMEN1
SCHEMBL2683809 0.79 HTT (0.43) HTTMAPTALDH1A1KDM4EMEN1
SCHEMBL2682965 0.78 SMN1; SMN2 (0.40) MAPTMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL2138730 0.78 ALDH1A1 (0.44) HTTMAPTALDH1A1KDM4EMEN1
SCHEMBL13076207 0.76 KDM4E (0.40) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US 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 (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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG HTT 2866/4885MAPT 1617/4885ALDH1A1 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.