SCHEMBL1861637

SCHEMBL1861637

O=[N+]([O-])c1ccc(C(CO)CO)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
SLC2A1 P11166 1/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL30262404 0.85 ADRA2A (0.44) ADRA2AADRA2BADRA2CSLC2A1GAA
SCHEMBL14659418 0.85 ADRA2A (0.44) ADRA2AADRA2BADRA2CSLC2A1GAA
SCHEMBL8134660 0.82 CYP1A2 (0.44) ADRA2AADRA2BADRA2CSLC2A1GAA
SCHEMBL9051436 0.81 CYP1A2 (0.43) ADRA2AADRA2BADRA2CSLC2A1GAA
SCHEMBL9044481 0.80 CYP1A2 (0.42) ADRA2AADRA2BADRA2CSLC2A1GAA
SCHEMBL9847272 0.78 NPC1 (0.47) ADRA2AADRA2BADRA2CSLC2A1GAA
SCHEMBL19089741 0.77 CYP1A2 (0.49) ADRA2AADRA2BADRA2CSLC2A1GAA
SCHEMBL31340065 0.77 ADRA2A (0.46) ADRA2AADRA2BADRA2CSLC2A1GAA
SCHEMBL31340046 0.77 ADRA2A (0.46) ADRA2AADRA2BADRA2CSLC2A1GAA
SCHEMBL11815139 0.77 HSPB1 (0.45) ADRA2AADRA2BADRA2CSLC2A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296726-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-03-29 US disclosed
US-9296726-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-03-29 US disclosed
US-9296726-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-03-29 US disclosed
US-20150051196-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 US disclosed
US-20150051196-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 US disclosed
US-20150051196-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 US disclosed
US-8895584-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-8895584-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-8895584-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2014-11-25 US disclosed
US-20140243382-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2014-08-28 US disclosed
US-20080275031-A1 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent ILLIG CARL R 2008-11-06 US disclosed
US-20080275031-A1 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent ILLIG CARL R 2008-11-06 US disclosed
US-7414050-B2 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
US-7414050-B2 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
US-7414050-B2 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
WO-2007124316-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
WO-2007124316-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
US-20070249593-A1 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249593-A1 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US disclosed
US-20070249593-A1 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA, N.V. (BE) 2007-10-25 US 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 (4 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-20070249593-A1 e.g. 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent MUSK, CHUK, PNCK ADRA2A 1857/4885ADRA2B 1927/4885ADRA2C 1869/4885
US-20150051196-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES ADRA2A 3673/4885ADRA2B 2808/4885ADRA2C 3586/4885
US-20140243382-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES ADRA2A 3673/4885ADRA2B 2808/4885ADRA2C 3586/4885
US-20080275031-A1 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent MUSK, CHUK, CAMK4 ADRA2A 1890/4885ADRA2B 1947/4885ADRA2C 1752/4885

“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.