SCHEMBL2129737

SCHEMBL2129737

COc1cc(Cl)c(C#N)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SRC P12931 5/20 0.40
SLC22A12 Q96S37 1/20 0.39
PGR P06401 2/20 0.37
GPR35 Q9HC97 1/20 0.37
HPGD P15428 1/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
AR P10275 2/20 0.36

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
SCHEMBL24252866 0.93 SRC (0.43) KDM4EUSP2ALDH1A1SRCSLC22A12
SCHEMBL2473900 0.82 GAA (0.45) KDM4EUSP2ALDH1A1SRCSLC22A12
SCHEMBL18587679 0.82 XDH (0.38) SRCGPR35HPGDARTRPV4
SCHEMBL15074290 0.78 PGR (0.46) KDM4EUSP2ALDH1A1PGRHPGD
SCHEMBL2472257 0.78 ALDH1A1 (0.43) KDM4EUSP2ALDH1A1SRCSLC22A12
SCHEMBL1708651 0.78 KDM4E (0.49) KDM4EUSP2ALDH1A1IMPDH2IMPDH1
SCHEMBL2728012 0.78 TRPV4 (0.41) KDM4EUSP2ALDH1A1PGRIMPDH2
SCHEMBL20241856 0.78 SRC (0.49) KDM4EUSP2ALDH1A1SRCHPGD
SCHEMBL21404002 0.78 GRIN2D (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29663687 0.78 GRIN2D (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 US disclosed
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 US disclosed
US-9776995-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-10-03 US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 US disclosed
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors AMGEN INC. 2016-05-19 US disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
US-8921412-B2 C-aryl ansa SGLT2 inhibitors GREEN CROSS CORPORATION (KR) 2014-12-30 US disclosed
US-8541380-B2 C-aryl glucoside SGLT2 inhibitors and pharmaceutical compositions comprising same GREEN CROSS CORPORATION (KR) 2013-09-24 US disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 US disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 US disclosed
WO-2013086229-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2013-06-13 WO disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 US disclosed
WO-2013086229-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2013-06-13 WO disclosed
WO-2012173410-A2 NOVEL C-ARYL ANSA SGLT2 INHIBITORS GREEN CROSS CORPORATION (KR) 2012-12-20 WO disclosed
WO-2012173410-A2 NOVEL C-ARYL ANSA SGLT2 INHIBITORS GREEN CROSS CORPORATION (KR) 2012-12-20 WO disclosed
US-20120101051-A1 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME GREEN CROSS CORPORATION (KR) 2012-04-26 US disclosed
WO-2010147430-A2 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2010-12-23 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-20120101051-A1 NOVEL C-ARYL GLUCOSIDE SGLT2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME SLC5A2, SLC5A1, SLC2A2 KDM4E 1273/4885USP2 2864/4885ALDH1A1 1785/4885
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors SCN1A, SCN1B, CACNA1B KDM4E 2033/4885USP2 4780/4885ALDH1A1 795/4885
US-20160137636-A1 Bicyclic Sulfonamide Compounds as Sodium Channel Inhibitors SCN7A, SCN1A, SCN5A KDM4E 2424/4885USP2 4573/4885ALDH1A1 1463/4885

“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.