SCHEMBL5388798

SCHEMBL5388798

COc1cc(N2C(=O)c3ccccc3C2=O)c(F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.56
KMT2A Q03164 2/20 0.49
NR1H3 Q13133 4/20 0.48
ALDH1A1 P00352 3/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
CCR6 P51684 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MEN1 O00255 1/20 0.46
SCN2A Q99250 1/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
NR1H2 P55055 2/20 0.45

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
SCHEMBL10300139 0.80 NR1H3 (0.48) KMT2ANR1H3ALDH1A1MEN1SCN2A
SCHEMBL7171795 0.80 NR1H3 (0.45) KMT2ANR1H3ALDH1A1MEN1SCN2A
SCHEMBL9781271 0.79 PPOX (0.58) PPOXALDH1A1NPSR1CYP3A4NFKB1
SCHEMBL27712799 0.79 KMT2A (0.53) KMT2ANR1H3ALDH1A1HSP90AA1MAPT
SCHEMBL10717840 0.79 PPOX (0.65) PPOXALDH1A1HSP90AA1MAPTPKM
SCHEMBL30002768 0.79 NR1H3 (0.44) KMT2ANR1H3ALDH1A1MEN1SCN2A
SCHEMBL3116334 0.79 NR1H3 (0.44) KMT2ANR1H3ALDH1A1MEN1SCN2A
SCHEMBL5388823 0.78 ESR1 (0.49) KMT2ANR1H3ALDH1A1HSP90AA1MEN1
SCHEMBL7729097 0.78 CYP3A4 (0.56) KMT2AALDH1A1MEN1SCN2ACYP3A4
SCHEMBL30566764 0.78 ESR1 (0.49) KMT2ANR1H3ALDH1A1HSP90AA1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39590-E1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED (US) 2007-04-24 US disclosed
US-6545161-B2 Potato and corn crops ISK AMERICAS INCORPORATED 2003-04-08 US disclosed
US-20020133007-A1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED 2002-09-19 US disclosed
US-6355799-B1 PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS ISK AMERICAS INCORPORATED 2002-03-12 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-20020133007-A1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them DDT, CYP4X1, CYP1A1 PPOX 460/4885KMT2A 2175/4885NR1H3 2835/4885

“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.