SCHEMBL2114548

SCHEMBL2114548

COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(C=NNC(=O)c3ccc(Cl)cc3)c1O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 4/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTBP1 P26599 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 2/20 0.40
SERPINE1 P05121 5/20 0.40
GAA P10253 1/20 0.40
GCGR P47871 1/20 0.39

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
SCHEMBL2114073 0.88 KMT2A (0.53) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2113567 0.86 KDM4E (0.56) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2113902 0.85 MAPT (0.54) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2113128 0.83 MEN1 (0.60) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2112670 0.82 MEN1 (0.67) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2112673 0.82 MEN1 (0.67) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2111335 0.79 MAPT (0.55) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2111333 0.79 MAPT (0.55) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2114549 0.79 MAPT (0.56) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL2114545 0.79 MAPT (0.56) MEN1KMT2AKDM4EMAPTLMNA

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-8158623-B2 Heptacyclic compounds and the pharmaceutical uses thereof for preventing and treating diabetes and metabolic syndrome SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCES (CN) 2012-04-17 US disclosed
US-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME SHANGHAI INSTITUTE OF MATERIA MEDICA CHINESE ACADEMY OF SCIENCE 2010-07-08 US disclosed
EP-2199295-A1 COMPOUNDS WITH 7-MEMBER CYCLE AND THE PHARMACEUTICAL USE THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLISM SYNDROME Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2010-06-23 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 (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-20100173905-A1 HEPTACYCLIC COMPOUNDS AND THE PHARMACEUTICAL USES THEREOF FOR PREVENTING AND TREATING DIABETES AND METABOLIC SYNDROME GPR119, CYP11B1, HSD11B1 MEN1 730/4885KMT2A 4629/4885KDM4E 4346/4885

“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.