SCHEMBL3586183

SCHEMBL3586183

COC(=O)c1ccc(Oc2ccccc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GRN P28799 2/20 0.55
SORT1 Q99523 2/20 0.55
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 1/20 0.54
OPRM1 P35372 5/20 0.53
OPRD1 P41143 5/20 0.53
OPRK1 P41145 4/20 0.53
CTSA P10619 2/20 0.52
TSHR P16473 1/20 0.50
GABRA5 P31644 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL28106567 0.97 LMNA (0.61) LMNAMAPK1KDM4EL3MBTL1GRN
SCHEMBL6339006 0.87 OPRM1 (0.57) LMNARAB9AMAPTOPRM1OPRD1
SCHEMBL21656526 0.86 LMNA (0.63) LMNAMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL31646829 0.86 L3MBTL1 (0.54) LMNAMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL15684885 0.85 LMNA (0.61) LMNAMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL619879 0.85 LMNA (0.61) LMNAMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL12157057 0.85 LMNA (0.65) LMNAMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL30737193 0.84 LMNA (0.51) LMNAMAPK1KDM4EL3MBTL1GRN
SCHEMBL13093866 0.84 HRH3 (0.56) GRNSORT1ALDH1A1HRH3RAB9A
SCHEMBL21656974 0.84 LMNA (0.60) LMNAMAPK1KDM4EL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773352-B1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RES TRIANGLE INST (US) 2017-06-28 EP disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-9512105-B2 1-substituted 4-arylpiperazine as kappa opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2016-12-06 US disclosed
US-9512105-B2 1-substituted 4-arylpiperazine as kappa opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2016-12-06 US disclosed
US-9512105-B2 1-substituted 4-arylpiperazine as kappa opioid receptor antagonists RESEARCH TRIANGLE INSTITUTE (US) 2016-12-06 US disclosed
US-20150005315-A1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-01-01 US disclosed
US-20150005315-A1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-01-01 US disclosed
US-20150005315-A1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-01-01 US disclosed
EP-2773352-A2 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS Research Triangle Institute, International (US) 2014-09-10 EP disclosed
WO-2013086496-A2 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2013-06-13 WO disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 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 (3 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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 LMNA 3126/4885MAPK1 976/4885KDM4E 2861/4885
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA LMNA 3605/4885MAPK1 2282/4885KDM4E 2668/4885
US-20150005315-A1 1-SUBSTITUTED 4-ARYLPIPERAZINE AS KAPPA OPIOID RECEPTOR ANTAGONISTS OPRK1, OPRM1, OPRD1 LMNA 4687/4885MAPK1 2463/4885KDM4E 905/4885

“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.