SCHEMBL13563232

SCHEMBL13563232

C=CCOC(=O)c1ccc(CI)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SNCA P37840 1/20 0.49
CYP3A4 P08684 1/20 0.45
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
FGFR1 P11362 1/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HCAR3 P49019 1/20 0.35
RHOA P61586 1/20 0.35

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
SCHEMBL21063734 0.85 MEN1 (0.51) MEN1KMT2ASNCACYP3A4ALDH1A1
SCHEMBL13563231 0.85 MEN1 (0.51) MEN1KMT2ASNCACYP3A4ALDH1A1
SCHEMBL1461229 0.83 MEN1 (0.54) MEN1KMT2ASNCACYP3A4ALDH1A1
SCHEMBL8055864 0.80 MEN1 (0.54) MEN1KMT2ASNCACYP3A4ALDH1A1
SCHEMBL23537696 0.79 MEN1 (0.53) MEN1KMT2ASNCACYP3A4ALDH1A1
SCHEMBL10664482 0.79 KMT2A (0.53) MEN1KMT2ASNCACYP3A4ALDH1A1
SCHEMBL2661626 0.79 MEN1 (0.53) MEN1KMT2ASNCACYP3A4ALDH1A1
SCHEMBL13563235 0.79 MEN1 (0.53) MEN1KMT2ASNCACYP3A4ALDH1A1
SCHEMBL30013699 0.79 MEN1 (0.53) MEN1KMT2ASNCACYP3A4ALDH1A1
SCHEMBL14802855 0.78 KMT2A (0.53) MEN1KMT2ASNCACYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575144-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2013-11-05 US disclosed
US-20130079318-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS SOUTHERN METHODIST UNIVERSITY (US) 2013-03-28 US disclosed
US-8299051-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2012-10-30 US disclosed
US-8299051-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2012-10-30 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-20130079318-A1 BETA-LACTAMASE INHIBITORY COMPOUNDS MGAM, GUSB, LCT MEN1 3447/4885KMT2A 2964/4885SNCA 2404/4885

“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.