SCHEMBL3545178

SCHEMBL3545178

COc1cc(NC(C)=O)c(OC)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.51
AAK1 Q2M2I8 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
MAPT P10636 2/20 0.45
CYP2C19 P33261 1/20 0.45
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
SAE1 Q9UBE0 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
SCHEMBL20373539 0.91 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL13841103 0.90 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL11638321 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL30665901 0.89 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL26654625 0.89 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL28068068 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL527222 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL3958932 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7956482 0.85 MEN1 (0.65) MEN1KMT2AALDH1A1GAAHSD17B1
SCHEMBL15216972 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807668-B2 Anti-inflammatory compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2010-10-05 US disclosed
US-20070265253-A1 Anti-Inflammatory Compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-11-15 US disclosed
EP-1789422-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-05-30 EP disclosed
WO-2006031134-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2006-03-23 WO disclosed
US-3933887-A Process for preparing 4-amino-2,5-dialkoxybenzonitriles HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-20 US 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-20070265253-A1 Anti-Inflammatory Compounds TNF, PTGS1, PTGES MEN1 4097/4885KMT2A 4755/4885ALDH1A1 489/4885

“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.