SCHEMBL17409104

SCHEMBL17409104

CC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.78
KMT2A Q03164 7/20 0.78
MAPT P10636 4/20 0.78
POLB P06746 1/20 0.78
BLM P54132 1/20 0.78
ALDH1A1 P00352 4/20 0.74
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
SETD7 Q8WTS6 1/20 0.67
RAC1 P63000 1/20 0.65
THRA P10827 1/20 0.65
SENP1 Q9P0U3 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 1/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64

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
SCHEMBL10943066 0.91 KMT2A (0.94) MEN1KMT2AMAPTPOLBBLM
SCHEMBL18300094 0.88 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL32690121 0.88 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
Hydrochloric Acid SCHEMBL2106899 0.87 MEN1 (0.76) MEN1KMT2AMAPTPOLBBLM
SCHEMBL2106897 0.87 KMT2A (0.76) MEN1KMT2AMAPTPOLBBLM
SCHEMBL299879 0.87 KMT2A (0.88) MEN1KMT2AMAPTPOLBBLM
SCHEMBL30868371 0.87 KMT2A (0.88) MEN1KMT2AMAPTPOLBBLM
SCHEMBL30780024 0.86 ALDH1A1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL54610 0.86 ALDH1A1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL1028237 0.86 KMT2A (0.78) MEN1KMT2AMAPTPOLBBLM

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-20160002198-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE MITSUI CHEMICALS, INC. (JP) 2016-01-07 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-20160002198-A1 AMIDE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS INSECTICIDE CYP1A1, CYP4B1, CYP2E1 MEN1 3376/4885KMT2A 1782/4885MAPT 4670/4885

“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.