SCHEMBL4453046

SCHEMBL4453046

O=C(O)NCC(=O)Nc1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
RECQL P46063 1/20 0.44
RNF4 P78317 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 2/20 0.41
MCL1 Q07820 1/20 0.41
LTA4H P09960 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL4681091 0.89 LTA4H (0.54) KMT2AMEN1RECQLRNF4LMNA
Hydrochloric Acid SCHEMBL4453553 0.88 LTA4H (0.53) KMT2AMEN1RECQLRNF4LMNA
SCHEMBL3269527 0.87 ALOX5 (0.50) KMT2AMEN1POLBRAB9AMCL1
SCHEMBL4457369 0.86 MEN1 (0.48) KMT2AMEN1LMNAALDH1A1PKM
SCHEMBL3275341 0.86 MCL1 (0.43) KMT2AMEN1RNF4LMNAALDH1A1
SCHEMBL3275815 0.85 GBA1 (0.46) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL3281277 0.84 MTNR1B (0.49) MAPTHPGDRAB9AMCL1NPC1
SCHEMBL4686964 0.82 MCL1 (0.46) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL3273871 0.82 NPC1 (0.50) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL3270529 0.82 MAPK1 (0.47) ALDH1A1HPGDMCL1

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-7534805-B2 Imidazole derivatives, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-05-19 US disclosed
EP-1638943-B1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2008-08-06 EP disclosed
US-20070066542-A1 Novel imidazole derivatives, their preparation and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-03-22 US disclosed
EP-1638943-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-03-29 EP disclosed
WO-2004106307-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-12-09 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-20070066542-A1 Novel imidazole derivatives, their preparation and their use as medicaments MIF, MCL1, PPIP5K2 KMT2A 1755/4885MEN1 280/4885RECQL 2431/4885

“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.