SCHEMBL13032461

SCHEMBL13032461

Cc1ccc(-c2ccc(OCCCN)c(OCCCN)c2C)s1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
MPI P34949 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HTR1B P28222 1/20 0.33
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE5A O76074 1/20 0.30
NCF1 P14598 1/20 0.30

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
SCHEMBL16684170 0.79 MEN1 (0.32) ALDH1A1MEN1MPIKMT2A
SCHEMBL16684162 0.79 MAP3K5 (0.40) MEN1KMT2AMAPTKDM4E
SCHEMBL13032450 0.75 PDE5A (0.39) NOS3NOS1NOS2HTR1BPDE5A
SCHEMBL16667192 0.75 MAP3K5 (0.38) MAPT
SCHEMBL3480726 0.73 CA2 (0.39)
SCHEMBL27402779 0.71 AAK1 (0.36) ADRA1AALDH1A1MEN1MPIKMT2A
SCHEMBL27404742 0.70 AAK1 (0.38) ADRA1AALDH1A1MEN1MPIKMT2A
SCHEMBL27402770 0.68 MCHR1 (0.38) ADRA1AALDH1A1MEN1MPIKMT2A
SCHEMBL27404622 0.68 MCHR1 (0.39) ADRA1AALDH1A1MEN1MPIKMT2A
SCHEMBL27404146 0.67 ALOX5AP (0.37) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS ADRA1A 2759/4885ALDH1A1 2190/4885MEN1 2900/4885

“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.