SCHEMBL3832407

SCHEMBL3832407

CCOc1ccc(N(C)C(C)=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
LMNA P02545 2/20 0.77
MAPT P10636 2/20 0.77
MAPK1 P28482 1/20 0.77
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 2/20 0.68
NQO1 P15559 1/20 0.52
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SRD5A1 P18405 3/20 0.50
PARP10 Q53GL7 1/20 0.50
MAOB P27338 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
ACACB O00763 1/20 0.48
PLK1 P53350 1/20 0.47

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
SCHEMBL6783648 0.86 POLB (0.64) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8006543 0.84 PARP10 (0.58) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL10927106 0.83 ALDH1A1 (0.56) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL3279381 0.81 ALDH1A1 (0.55) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
Ether SCHEMBL28296537 0.81 ALDH1A1 (0.60) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL14756119 0.81 SMN1; SMN2 (0.77) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8968174 0.80 SMN1; SMN2 (0.60) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL28573186 0.80 SMN1; SMN2 (0.60) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8968222 0.80 SMN1; SMN2 (0.60) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL14341655 0.79 SMN1; SMN2 (0.61) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194732-A1 MULTI-API LOADING PRODRUGS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US disclosed
US-20160024011-A1 Multi-API Loading Prodrugs ALKERMES PHARMA IRELAND LTD (IE) 2016-01-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
EP-2014643-B1 PARA-METHOXYANILINE DERIVATIVES INCREASING THE ANTIKNOCK RATING OF HYDROCARBON FUELS AND COMPOSITIONS BASED THEREON ZAO IFOKHIM (RU) 2013-11-20 EP disclosed
US-20120202823-A1 Multi-API Loading Prodrugs ALKERMES, INC. 2012-08-09 US disclosed
EP-2014643-A1 PARA-ETHOXYANILINE DERIVATIVES INCREASING THE ANTIKNOCK RATING OF HYDROCARBON FUELS AND COMPOSITIONS BASED THEREON Obshestvo S Ogranichennoy Otvetstvennostiu Inoxim (RU) 2009-01-14 EP disclosed
WO-2007105982-A1 PARA-ETHOXYANILINE DERIVATIVES ENHANCING THE ANTIKNOCK RATING OF HYDROCARBON FUELS AND COMPOSITIONS BASED THEREON OBSHESTVO S OGRANICHENNOY OTVETSTVENNJCTY 'INOXIM' (RU) 2007-09-20 WO disclosed
US-6710060-B2 4-hydroxypiperidine derivatives having antiarrhythmic activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-03-23 US disclosed
US-6642257-B2 Fewer side-effects than do the conventional analgesics; 4-hydroxypiperidine derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
US-20020188006-A1 4-hydroxypiperidine derivatives having antiarrhythmic activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-12-12 US disclosed
US-20020049229-A1 Agents for treating neuropathic pain MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-04-25 US disclosed
EP-1182193-A1 REMEDIES FOR NEUROPATHIC PAIN MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-02-27 EP disclosed
EP-1182192-A1 4-HYDROXYPIPERIDINE DERIVATIVES HAVING ANTIARRHYTHMIC EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-02-27 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 (7 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 ALDH1A1 4558/4885LMNA 3780/4885MAPT 2520/4885
US-20160024011-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 ALDH1A1 525/4885LMNA 2855/4885MAPT 4018/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 ALDH1A1 4589/4885LMNA 1148/4885MAPT 1845/4885
US-20020049229-A1 Agents for treating neuropathic pain OPRM1, OPRK1, OPRL1 ALDH1A1 310/4885LMNA 4829/4885MAPT 3368/4885
US-20020188006-A1 4-hydroxypiperidine derivatives having antiarrhythmic activity SCN5A, RYR2, SCN1B ALDH1A1 416/4885LMNA 337/4885MAPT 4760/4885
US-20120202823-A1 Multi-API Loading Prodrugs AADAC, PAICS, ABCG2 ALDH1A1 525/4885LMNA 2855/4885MAPT 4018/4885
US-20180194732-A1 MULTI-API LOADING PRODRUGS AADAC, PAICS, ABCG2 ALDH1A1 525/4885LMNA 2855/4885MAPT 4018/4885

“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.