SCHEMBL6298526

SCHEMBL6298526

CN(C)c1ccc(CNn2cccc(C(=O)O)c2=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
NAMPT P43490 1/20 0.34
AOC3 Q16853 2/20 0.34
HCAR3 P49019 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
SLC40A1 Q9NP59 1/20 0.33
ADORA2A P29274 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
MAPK8 P45983 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL6298514 0.77 USP2 (0.55) KDM4EALDH1A1LMNAUSP2
SCHEMBL4774250 0.73 MEN1 (0.36) HDAC6HCAR3PRKAG1PRKAA1PRKAB1
SCHEMBL12880102 0.68 KMT2A (0.47) HDAC6CACNA1GCACNA1HCACNA1INAMPT
SCHEMBL6304556 0.67 BRD4 (0.42) MAPTKDM4EALDH1A1BRD4BRD2
SCHEMBL6304490 0.67 PSMB1 (0.38) ADORA2AKDM4EALDH1A1
SCHEMBL2566649 0.66 ADH1B (0.43) HDAC6CACNA1GCACNA1HCACNA1INAMPT
SCHEMBL5010821 0.66 AOC3 (0.44) CACNA1GCACNA1HCACNA1INAMPTAOC3
SCHEMBL17316315 0.66 GABRP (0.56) CACNA1GCACNA1HCACNA1IAOC3HCAR3
SCHEMBL12564758 0.65 ADRB2 (0.39) HDAC6CACNA1GCACNA1HCACNA1INAMPT
Hydrochloric Acid SCHEMBL5013384 0.65 AOC3 (0.43) CACNA1GCACNA1HCACNA1INAMPTAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 HDAC6 990/4885CACNA1G 4818/4885CACNA1H 4783/4885

“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.