SCHEMBL163381

SCHEMBL163381

CCOC(=O)c1cc(Cl)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 3/20 0.52
CYP1A2 P05177 1/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
GABRA2 P47869 3/20 0.48
GABRB2 P47870 3/20 0.48
GAA P10253 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 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
SCHEMBL6889759 0.85 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL9729781 0.84 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL1733527 0.84 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL30002312 0.84 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL3281879 0.84 KDM4E (0.60) SMN1; SMN2ALDH1A1KDM4EMAPTMEN1
SCHEMBL2222620 0.83 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL23202573 0.82 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL30474276 0.82 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL23198535 0.82 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL31254231 0.82 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KDM4ECYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174062-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2019-01-08 US disclosed
US-10005805-B2 2018-06-26 US disclosed
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. 2017-04-06 US disclosed
US-9522926-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2016-12-20 US disclosed
EP-2663553-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORP (US) 2015-08-26 EP disclosed
US-20150119365-A1 NOVEL ACTIVATORS OF GLUCOKINASE CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-30 US disclosed
US-8940927-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
EP-2185570-B1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS INC (US) 2014-03-19 EP disclosed
EP-2663553-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-11-20 EP disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 US disclosed
CN-101712688-A Hybrid QA molecules wherein Q is an aminoquinoline and A is an antibiotic residue, their synthesis and their uses as antibacterial agent PALUMED SA 2010-05-26 CN disclosed
EP-2185570-A2 NOVEL ACTIVATORS OF GLUCOKINASE Metabasis Therapeutics, Inc. (US) 2010-05-19 EP disclosed
WO-2009023718-A2 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2009-02-19 WO disclosed
EP-1853586-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2007-11-14 EP disclosed
CN-101068821-A Hybrid QA molecules where Q is an aminoquinoline and A is an antibiotic residue, their synthesis and use as antibacterial agents PALUMED SA (FR) 2007-11-07 CN disclosed
EP-1771456-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT Palumed SA (FR) 2007-04-11 EP disclosed
US-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents PALUMED S.A. (FR) 2007-03-15 US disclosed
WO-2006087543-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-08-24 WO disclosed
WO-2006024741-A2 HYBRID QA MOLECULES WHEREIN Q IS AN AMINOQUINOLINE AND A IS AN ANTIBIOTIC RESIDUE, THEIR SYNTHESIS AND THEIR USES AS ANTIBACTERIAL AGENT PALUMED S.A. (FR) 2006-03-09 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 (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-10005805-B2 GCKR, GCK, HK1 SMN1; SMN2 3089/4885ALDH1A1 1843/4885KDM4E 4072/4885
US-20150119365-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 SMN1; SMN2 3652/4885ALDH1A1 2389/4885KDM4E 3996/4885
US-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents QARS1, QPCT, QTRT2 SMN1; SMN2 4858/4885ALDH1A1 2264/4885KDM4E 2016/4885
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS JAK3, JAK2, JAK1 SMN1; SMN2 3139/4885ALDH1A1 4518/4885KDM4E 1365/4885
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 SMN1; SMN2 3652/4885ALDH1A1 2389/4885KDM4E 3996/4885
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 SMN1; SMN2 3190/4885ALDH1A1 502/4885KDM4E 3484/4885
US-10174062-B2 Activators of glucokinase GCKR, GCK, HK1 SMN1; SMN2 3576/4885ALDH1A1 2263/4885KDM4E 4021/4885

“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.