SCHEMBL3165644

SCHEMBL3165644

CN1C(=O)C(Cc2ccccc2I)N(C)C(=O)C1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.51
GFER P55789 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
TACR1 P25103 1/20 0.41
PLA2G10 O15496 1/20 0.40
PLA2G5 P39877 1/20 0.40
CES2 O00748 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
TAS2R8 Q9NYW2 1/20 0.37
MMP2 P08253 3/20 0.37
EP300 Q09472 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MDM2 Q00987 4/20 0.36
EHMT2 Q96KQ7 1/20 0.36

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
SCHEMBL13479919 1.00 CAPN1 (0.51) CAPN1GFERHDAC6TACR1PLA2G10
SCHEMBL23873935 0.85 CAPN1 (0.67) CAPN1GFERHDAC6TACR1PLA2G10
SCHEMBL25937447 0.85 CAPN1 (0.67) CAPN1GFERHDAC6TACR1PLA2G10
SCHEMBL14464270 0.83 CAPN1 (0.53) CAPN1GFERHDAC6TACR1PLA2G10
SCHEMBL13799188 0.78 CAPN1 (0.48) CAPN1GFERHDAC6TACR1PLA2G10
SCHEMBL3162010 0.78 CAPN1 (0.48) CAPN1GFERHDAC6TACR1PLA2G10
SCHEMBL3026144 0.78 CAPN1 (0.48) CAPN1GFERHDAC6TACR1PLA2G10
SCHEMBL3022115 0.77 GSK3B (0.47) CAPN1CES2MMP2
SCHEMBL12361440 0.77 CAPN1 (0.49) CAPN1GFERHDAC6TACR1PLA2G10
SCHEMBL23431475 0.76 KMT2A (0.59) TACR1KDM4EMAPT

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
US-8450301-B2 Piperazine compounds with a herbicidal action BASF SE (DE) 2013-05-28 US disclosed
EP-1971580-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-02-24 EP disclosed
US-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-06-18 US disclosed
EP-1971580-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-09-24 EP disclosed
WO-2007077201-A9 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-07-31 WO disclosed
WO-2007077201-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2007-07-12 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-20090156553-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION DDT, CAT, CIP2A CAPN1 579/4885GFER 1592/4885HDAC6 243/4885

“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.