SCHEMBL1829151

SCHEMBL1829151

CC(C)NC(=O)c1ccccc1C(=O)Nc1ccc(CN)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.61
PTK2 Q05397 1/20 0.58
PLG P00747 10/20 0.56
KLK1 P06870 10/20 0.56
KLK6 Q92876 10/20 0.56
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL12700210 0.82 ALDH1A1 (0.69) KLKB1PLGKLK1KLK6KMT2A
SCHEMBL27483855 0.79 KLKB1 (0.64) KLKB1PLGKLK1KLK6KMT2A
SCHEMBL2161141 0.78 KMT2A (0.52) KMT2AALDH1A1RAB9A
SCHEMBL7075705 0.78 MEN1 (0.75) KLKB1PLGKLK1KLK6KMT2A
SCHEMBL18285117 0.76 KLKB1 (0.73) KLKB1PLGKLK1KLK6
SCHEMBL14009429 0.75 PTK2 (0.46) PTK2KMT2AALDH1A1
SCHEMBL2643888 0.75 ALDH1A1 (0.63) KLKB1PTK2PLGKLK1KMT2A
SCHEMBL13544849 0.74 LMNA (0.51) KMT2AALDH1A1
SCHEMBL1857575 0.73 PTPN1 (0.65) PLGKLK1KLK6KMT2ANPC1
Hydrochloric Acid SCHEMBL6442966 0.73 ALDH1A1 (0.61) KLKB1PTK2PLGKLK1KMT2A

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
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 CN disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 KLKB1 4858/4885PTK2 4829/4885PLG 4384/4885

“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.