SCHEMBL11903156

SCHEMBL11903156

C=C(C)Cc1c(NCc2ccccc2)nc(-c2ccc(Cl)c(OC)c2F)nc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PDE4D Q08499 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL11903081 0.87 HTT (0.43) CYP1A2CYP3A4CYP2C19MAPK1CYP2D6
SCHEMBL1654721 0.86 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19MAPK1CYP2D6
SCHEMBL1653873 0.86 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19MAPK1CYP2D6
SCHEMBL11902701 0.84 CRHR1 (0.36) MEN1KMT2APDE4DCRHR2
SCHEMBL11903114 0.82 MEP1B (0.35) TSHRSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL2682965 0.76 SMN1; SMN2 (0.40) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL11903079 0.76 HTT (0.36) CYP1A2CYP3A4CYP2C19CYP2D6LMNA
SCHEMBL21584410 0.74 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19MAPK1CYP2D6
SCHEMBL11918137 0.74 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19MAPK1CYP2D6
SCHEMBL10087224 0.74 SMN1; SMN2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
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 CYP1A2 75/4885CYP3A4 435/4885CYP2C19 797/4885

“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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