SCHEMBL11902676

SCHEMBL11902676

CCOC=Cc1c(NCc2ccccc2)nc(-c2ccc(Cl)c(F)c2)nc1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
GAA P10253 1/20 0.42
GPR68 Q15743 1/20 0.38
F2 P00734 2/20 0.38
PTGS2 P35354 4/20 0.37
PDE4D Q08499 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
HPGD P15428 2/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL11902674 1.00 ALDH1A1 (0.43) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL12786060 1.00 ALDH1A1 (0.43) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL11913407 0.90 ALDH1A1 (0.41) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL11903231 0.87 APP (0.38) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL11903228 0.87 APP (0.38) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL11903209 0.87 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL12786061 0.87 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL11918064 0.85 GPR68 (0.38) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL11903018 0.85 PI4KB (0.35) CYP1A2PDE4D
SCHEMBL11903024 0.85 PI4KB (0.35) CYP1A2PDE4D

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO ALDH1A1 718/4885NPSR1 1646/4885MAPT 4272/4885

“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.