SCHEMBL13232186

SCHEMBL13232186

CN1C(=O)c2cc3ccccc3n2C(=O)C1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.43
CAPN1 P07384 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
APP P05067 1/20 0.36
TACR1 P25103 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CES2 O00748 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HAO1 Q9UJM8 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL23873935 0.73 CAPN1 (0.67) GFERCAPN1HDAC6MMP1MMP3
SCHEMBL25937447 0.73 CAPN1 (0.67) GFERCAPN1HDAC6MMP1MMP3
SCHEMBL13232183 0.72 GAA (0.44) PLA2G10PLA2G5ALDH1A1
SCHEMBL13232185 0.68 ELANE (0.38) KMT2AAPPLMNAHPGDSMN1; SMN2
SCHEMBL11270800 0.67 HDAC6 (0.52) GFERCAPN1HDAC6KMT2AMMP1
SCHEMBL31319194 0.66 CAPN1 (0.42) GFERCAPN1HDAC6
SCHEMBL20516454 0.65 HDAC6 (0.53) GFERCAPN1HDAC6KMT2AMMP1
SCHEMBL20516455 0.65 HDAC6 (0.53) GFERCAPN1HDAC6KMT2AMMP1
SCHEMBL3086865 0.65 KMT2A (0.42) KMT2AAPPLMNAHPGDALDH1A1
SCHEMBL11264078 0.64 HDAC6 (0.74) HDAC6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100167933-A1 Piperazine Compounds With Herbicidal Action BASF SE (DE) 2010-07-01 US disclosed
US-20100167933-A1 Piperazine Compounds With Herbicidal Action BASF SE (DE) 2010-07-01 US disclosed
WO-2009000757-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL ACTION BASF SE (DE) 2008-12-31 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-20100167933-A1 Piperazine Compounds With Herbicidal Action PRXL2A, CBR1, CBR3 GFER 332/4885CAPN1 1183/4885HDAC6 1514/4885

“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.