SCHEMBL1408236

SCHEMBL1408236

NC(CO)CNCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.57
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DNM1 Q05193 1/20 0.47
BCHE P06276 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
MAOA P21397 1/20 0.44
LMNA P02545 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
IDO1 P14902 2/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL1408234 1.00 ANPEP (0.57) ANPEPMEN1KMT2ATDP1DNM1
SCHEMBL12696613 0.84 ANPEP (0.61) ANPEPMEN1KMT2ATDP1DNM1
SCHEMBL421959 0.82 EPHX1 (0.61) ANPEPMEN1KMT2ATDP1BCHE
SCHEMBL421960 0.82 EPHX1 (0.61) ANPEPMEN1KMT2ATDP1BCHE
SCHEMBL20237224 0.82 ANPEP (0.54) ANPEPMEN1KMT2ATDP1DNM1
SCHEMBL11121889 0.81 EPHX1 (0.59) ANPEPMEN1KMT2ATDP1BCHE
SCHEMBL25343744 0.80 MEN1 (0.52) ANPEPMEN1KMT2ATDP1DNM1
SCHEMBL3079282 0.78 DNM1 (0.57) ANPEPMEN1KMT2ATDP1DNM1
SCHEMBL10533348 0.78 DNM1 (0.57) ANPEPMEN1KMT2ATDP1DNM1
SCHEMBL359137 0.78 ANPEP (0.50) ANPEPMEN1KMT2ATDP1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000952-B1 New 2-halogenated derivatives of 5-O-deosaminylerythronolide A, process for making them as well as their use as medicines AVENTIS PHARMA SA (FR) 2011-03-09 EP disclosed
US-RE39743-E1 2-halogenated derivatives of 5-0 desosaminyl-erythronolide a, their preparation process and their antibiotic use AVENTIS PHARMA S.A. (FR) 2007-07-24 US disclosed
US-7119180-B2 2-halogenated derivatives of 5-O-desosaminyl-erythronolide A, their preparation process and their antibiotic use AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20050065101-A1 2-Halogenated derivatives of 5-O-desosaminyl-erythronolide a, their preparation process and their antibiotic use AVENTIS PHARMA S.A. (FR) 2005-03-24 US disclosed
US-20020111319-A1 2-halogenated derivatives of 5-0-desosaminyl-erythronolide A, their preparation process and their antibiotic use AGOURIDAS CONSTANTIN (FR) 2002-08-15 US disclosed
US-6352983-B1 ANTIBIOTICS AND BACTERICIDES AVENTIS PHARMA S.A. (FR) 2002-03-05 US disclosed
EP-1000952-A2 New 2-halogenated derivatives of 5-O-deosaminylerythronolide A, process for making them as well as their use as medicines HOECHST MARION ROUSSEL (FR) 2000-05-17 EP 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 (2 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-20050065101-A1 2-Halogenated derivatives of 5-O-desosaminyl-erythronolide a, their preparation process and their antibiotic use EEF1D, GALE, DCTD ANPEP 393/4885MEN1 2840/4885KMT2A 1720/4885
US-20020111319-A1 2-halogenated derivatives of 5-0-desosaminyl-erythronolide A, their preparation process and their antibiotic use EEF1D, GALE, EBPL ANPEP 427/4885MEN1 2229/4885KMT2A 2291/4885

“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.