SCHEMBL5201425

SCHEMBL5201425

CN(N)C(=O)c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
PTPN1 P18031 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 6/20 0.47
POLB P06746 4/20 0.47
MEN1 O00255 4/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GFER P55789 1/20 0.47
RAB9A P51151 6/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 2/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL743549 0.83 CES2 (0.58) CES2CES1PTPN1HTTNPSR1
SCHEMBL226605 0.82 CES2 (0.56) CES2CES1PTPN1HTTNPSR1
SCHEMBL11465945 0.81 CES2 (0.50) CES2CES1PTPN1HTTNPSR1
SCHEMBL11465943 0.81 CES2 (0.50) CES2CES1PTPN1HTTNPSR1
SCHEMBL9508524 0.79 CES2 (0.48) CES2CES1PTPN1HTTNPSR1
SCHEMBL10724442 0.78 RAB9A (0.53) CES2CES1PTPN1HTTNPSR1
SCHEMBL2306849 0.77 CES2 (0.55) CES2CES1PTPN1HTTNPSR1
Hydrochloric Acid SCHEMBL11684928 0.77 CES2 (0.50) CES2CES1PTPN1HTTNPSR1
SCHEMBL28167448 0.77 CES2 (0.50) CES2CES1PTPN1HTTNPSR1
SCHEMBL1106996 0.77 CES2 (0.50) CES2CES1PTPN1HTTNPSR1

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-20070265231-A1 Hydrazide Compounds for Combating Animal Pests BASF AKTIENGESELLSCHAFT (DE) 2007-11-15 US disclosed
EP-1819224-A1 HYDRAZIDE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
WO-2006058730-A1 HYDRAZIDE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 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-20070265231-A1 Hydrazide Compounds for Combating Animal Pests HRH4, CBR3, HRH2 CES2 2048/4885CES1 1952/4885PTPN1 1489/4885

“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.