SCHEMBL827965

SCHEMBL827965

COc1ccc2cccc3c2c1C(=O)C3=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
ALDH1A1 P00352 5/20 0.55
USP2 O75604 3/20 0.55
KDM4E B2RXH2 3/20 0.55
DUSP3 P51452 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CES1 P23141 2/20 0.53
MCL1 Q07820 2/20 0.53
CES2 O00748 1/20 0.53
BCHE P06276 1/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
FGB P02675 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
ADORA2A P29274 1/20 0.46

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
SCHEMBL21551820 0.83 KDM4E (0.54) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL5398291 0.81 KDM4E (0.52) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL27927328 0.80 MAPT (0.55) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL7709655 0.80 TYMS (0.56) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL2367539 0.79 MAPT (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL28678417 0.79 PARP1 (0.58) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL2367945 0.79 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2701449 0.77 ALDH1A1 (0.59) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL7712333 0.76 KDM4E (0.62) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL13495347 0.76 KMT2A (0.50) MAPTMEN1KMT2AALDH1A1USP2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143449-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2012-03-27 US claimed
EP-2151429-B1 Process for the preparation of agomelatin SERVIER LAB (FR) 2011-05-25 EP claimed
US-20100036163-A1 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2010-02-11 US claimed
WO-2016046833-A2 IMPROVED PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-03-31 WO disclosed
WO-2014064706-A1 PROCESSES FOR THE PREPARATION OF AGOMELATINE USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2014-05-01 WO disclosed
EP-2703383-A1 Process for the preparation of agomelatine Procos S.p.A. (IT) 2014-03-05 EP disclosed
US-8143449-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2012-03-27 US disclosed
US-8143449-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2012-03-27 US disclosed
US-8143449-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2012-03-27 US disclosed
EP-2151429-B1 Process for the preparation of agomelatin SERVIER LAB (FR) 2011-05-25 EP disclosed
JP-2010043078-A NEW PROCESS FOR SYNTHESIS OF AGOMELATINE LAB SERVIER 2010-02-25 JP disclosed
WO-2010015746-A1 NOVEL METHOD FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2010-02-11 WO disclosed
US-20100036163-A1 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2010-02-11 US disclosed
EP-2151429-A1 Process for the preparation of agomelatin Les Laboratoires Servier (FR) 2010-02-10 EP disclosed
EP-2151429-A1 Process for the preparation of agomelatin Les Laboratoires Servier (FR) 2010-02-10 EP disclosed
US-20050009903-A1 CB2-selective cannabinoid analogues CLEMSON UNIVERSITY 2005-01-13 US disclosed
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US disclosed
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 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 (2 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-20050009903-A1 CB2-selective cannabinoid analogues CNR2, CNR1, GPR68 MAPT 2197/4885MEN1 1930/4885KMT2A 886/4885
US-20100036163-A1 Process for the synthesis of agomelatine COMT, PNMT, TPH1 MAPT 1010/4885MEN1 2200/4885KMT2A 1115/4885

“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.