SCHEMBL11918076

SCHEMBL11918076

O=Cc1nc(-c2ccc(Cl)c(F)c2)nc2c1n(Cc1ccccc1)c(=O)c(=O)n2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.41
▸ CYP3A4 P08684 6/20 0.41
▸ CYP2C9 P11712 6/20 0.41
▸ CYP2C19 P33261 6/20 0.41
▸ USP2 O75604 5/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ LMNA P02545 4/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BCL2 P10415 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
SCHEMBL1654751 0.80 MAPK8 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19USP2
SCHEMBL12786040 0.72 GPR68 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19USP2
SCHEMBL11918075 0.71 GPR68 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19USP2
SCHEMBL11902957 0.69 NOTUM (0.40) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL12785769 0.66 ALDH1A1 (0.42) MAPK1LMNAALDH1A1GAABRD4
SCHEMBL11902835 0.66 EGLN1 (0.40) LMNAGAATSHRFGFR1
SCHEMBL20597245 0.66 MEN1 (0.46) CYP1A2LMNAALDH1A1HPGDRAB9A
SCHEMBL11918064 0.64 GPR68 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19USP2
SCHEMBL12885490 0.64 KMO (0.40) CYP1A2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL22578247 0.64 MEN1 (0.53) CYP2C19LMNAALDH1A1HPGDSMN1; SMN2

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 CYP1A2 75/4885CYP3A4 435/4885CYP2C9 115/4885

“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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