SCHEMBL1916613

SCHEMBL1916613

NC(=O)CCC(=O)N(c1ccc(C=O)cc1)c1ccc(C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
ALDH3A1 P30838 1/20 0.43
ALDH1A3 P47895 1/20 0.43
CYP2A6 P11509 2/20 0.41
CYP2A13 Q16696 1/20 0.41
KMT2A Q03164 3/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL1915300 0.92 KMT2A (0.44) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL1915247 0.90 KMT2A (0.42) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL1915603 0.90 KMT2A (0.42) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL3350100 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4EGLAPOLB
SCHEMBL10044546 0.75 CYP2A6 (0.48) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL29952397 0.73 ALDH1A1 (0.57) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL31319816 0.71 CA2 (0.42) ALDH1A1KMT2AKDM4EGFERPOLB
SCHEMBL2557220 0.70 CYP2A6 (0.52) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL4138868 0.69 NPSR1 (0.55) ALDH1A1KMT2AMAPTPOLBNPC1
Urea SCHEMBL28672417 0.68 CYP2A6 (0.79) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13

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-20130018140-A1 N-BRIDGED POLYNITRONS AND THE USE THEREOF AS CROSS-LINKING AGENTS, IN PARTICULAR IN COATING MATERIALS AND ADHESIVES DICKMEIS MARCUS (DE) 2013-01-17 US disclosed
EP-2516532-A2 POLYOXAZIRIDINES AND USE THEREOF AS A CROSS-LINKING AGENT, ESPECIALLY IN COATING MATERIALS AND ADHESIVES Dickmeis, Marcus (DE) 2012-10-31 EP disclosed
EP-2516531-A1 N-BRIDGED POLYNITRONS AND THE USE THEREOF AS CROSS-LINKERS, IN PARTICULAR IN COATING MATERIALS AND ADHESIVES Dickmeis, Marcus (DE) 2012-10-31 EP disclosed
WO-2011085793-A2 POLYOXAZIRIDINES AND USE THEREOF AS A CROSS-LINKING AGENT, ESPECIALLY IN COATING MATERIALS AND ADHESIVES DICKMEIS MARCUS (DE) 2011-07-21 WO disclosed
WO-2011076392-A1 N-BRIDGED POLYNITRONS AND THE USE THEREOF AS CROSS-LINKERS, IN PARTICULAR IN COATING MATERIALS AND ADHESIVES DICKMEIS MARCUS (DE) 2011-06-30 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-20130018140-A1 N-BRIDGED POLYNITRONS AND THE USE THEREOF AS CROSS-LINKING AGENTS, IN PARTICULAR IN COATING MATERIALS AND ADHESIVES PNN, PARN, NCLN ALDH1A1 1538/4885ALDH3A1 2053/4885ALDH1A3 2116/4885

“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.