SCHEMBL11902743

SCHEMBL11902743

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc(N(CCNc2ccccc2)c2ccccc2)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 3/20 0.33
▸ ACLY P53396 2/20 0.33
▸ MEP1B Q16820 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TAS1R3 Q7RTX0 2/20 0.31
▸ TAS1R1 Q7RTX1 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TAS1R2 Q8TE23 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
SCHEMBL11918049 0.85 MEP1B (0.32) MEP1B
SCHEMBL11902496 0.78 MEP1B (0.37) ACLYMEP1BALDH1A1TAS1R3TAS1R1
SCHEMBL1609600 0.78 CASR (0.37) ACLYMEP1BMAPTALDH1A1LMNA
SCHEMBL11902967 0.77 MEP1B (0.36) ACLYMEP1BMAPTALDH1A1RAB9A
SCHEMBL11902797 0.77 MEP1B (0.38) ACLYMEP1BALDH1A1TAS1R3TAS1R1
SCHEMBL2682967 0.77 TAS1R3 (0.38) ACLYMEP1BALDH1A1TAS1R3TAS1R1
SCHEMBL117789 0.76 TAS1R3 (0.40) ACLYMEP1BALDH1A1KMT2ATAS1R3
SCHEMBL1654721 0.75 CYP1A2 (0.43) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL118964 0.75 MAPT (0.39) ACLYMEP1BMAPTALDH1A1RAB9A
SCHEMBL1656975 0.74 MEN1 (0.37) ACLYMEP1BMAPTALDH1A1MEN1

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 2 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

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 MTNR1A 2003/4885MTNR1B 1060/4885ACLY 537/4885

“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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