SCHEMBL3113702

SCHEMBL3113702

CN1C(=O)C(Cc2ccccc2)N(C)C(=O)C1=Cc1ccccc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.41
CAPN1 P07384 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
CES2 O00748 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
TACR1 P25103 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4234097 1.00 GFER (0.41) GFERCAPN1HDAC6CES2PLA2G10
SCHEMBL3119435 0.87 GFER (0.37) GFERCAPN1HDAC6CES2PLA2G10
SCHEMBL3119429 0.87 GFER (0.37) GFERCAPN1HDAC6CES2PLA2G10
SCHEMBL2793358 0.85 GFER (0.41) GFERCAPN1HDAC6CES2PLA2G10
SCHEMBL2793360 0.85 GFER (0.41) GFERCAPN1HDAC6CES2PLA2G10
SCHEMBL3115362 0.83 MAPT (0.43) HDAC6LMNAMEN1KMT2AALDH1A1
SCHEMBL2794403 0.82 GFER (0.39) GFERCAPN1HDAC6CES2PLA2G10
SCHEMBL2794405 0.82 GFER (0.39) GFERCAPN1HDAC6CES2PLA2G10
SCHEMBL3017361 0.81 XDH (0.50) GFERNPSR1MEN1KMT2AALDH1A1
SCHEMBL3017358 0.81 XDH (0.50) GFERNPSR1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971581-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-04-07 EP disclosed
US-20090137396-A1 Piperazine Compounds with a Herbicidal Action BASF SE (DE) 2009-05-28 US disclosed
EP-1971581-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-09-24 EP disclosed
EP-1968991-A1 BIS-PLATINUM COMPLEXES WITH ANTITUMOR ACTIVITY Sede Secondaria Della Cell Therapeutics, Inc. (IT) 2008-09-17 EP disclosed
WO-2007077247-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2007-07-12 WO disclosed
WO-2007071415-A1 BIS-PLATINUM COMPLEXES WITH ANTITUMOR ACTIVITY CELL THERAPEUTICS, INC. - SEDE SECONDARIA (IT) 2007-06-28 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-20090137396-A1 Piperazine Compounds with a Herbicidal Action DDT, CIP2A, PFAS GFER 1334/4885CAPN1 511/4885HDAC6 536/4885

“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.