SCHEMBL4662136

SCHEMBL4662136

O=C(NCCc1cccnc1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.83
KMT2A Q03164 3/20 0.83
MEN1 O00255 2/20 0.83
NPC1 O15118 2/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
HDAC2 Q92769 2/20 0.73
HDAC8 Q9BY41 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
TBXAS1 P24557 1/20 0.71
EPHX2 P34913 2/20 0.70
PTAFR P25105 3/20 0.70
NAMPT P43490 2/20 0.65
MAPT P10636 1/20 0.64
GAA P10253 1/20 0.64
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL30969954 0.91 RAB9A (1.00) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL2129716 0.91 RAB9A (1.00) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL8739011 0.88 RAB9A (0.66) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL14797299 0.87 HDAC2 (0.64) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL13211915 0.87 RAB9A (0.70) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL506616 0.86 NAMPT (0.67) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL13766380 0.86 HDAC2 (0.63) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL5214944 0.85 RAB9A (0.70) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL13762095 0.85 ALDH1A1 (0.76) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL1831475 0.85 HDAC2 (0.62) RAB9AKMT2AMEN1NPC1SMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633347-A1 2-PYRROLIDONE DERIVATIVES AND USE THEREOF AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-15 EP claimed
WO-2004110434-A1 2-PYRROLIDONE DERIVATIVES AND USE THEREOF AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 WO claimed
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 US disclosed
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 CN disclosed
CN-1968929-B Substituted tetrahydro-2h-isoquinolin-1-one derivatives, method for the production thereof, and use of the same as medicaments SANOFI AVENTIS DEUTSCHLAND 2010-09-08 CN disclosed
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN disclosed
US-20080033020-A1 3-Pyridinylethylbenzamide Derivatives as Fungicides BAYER CROPSCIENCE S.A. (FR) 2008-02-07 US disclosed
US-20080033020-A1 3-Pyridinylethylbenzamide Derivatives as Fungicides BAYER CROPSCIENCE S.A. (FR) 2008-02-07 US disclosed
US-20070249690-A1 N-[2-(4-Pyridinyl)Ethyl]Benzamide Derivatives as Fungicides BAYER CROPSCIENCE S.A. (FR) 2007-10-25 US disclosed
CN-1968929-A Substituted tetrahydro-2h-isoquinolin-1-one derivatives, method for the production thereof, and use of the same as medicaments SANOFI AVENTIS DEUTSCHLAND (DE) 2007-05-23 CN disclosed
EP-1773777-A1 N-[2-(4-PYRIDINYL)ETHYL]BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2007-04-18 EP disclosed
EP-1773776-A1 3-PYRIDINYLETHYLBENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2007-04-18 EP disclosed
EP-1633347-A1 2-PYRROLIDONE DERIVATIVES AND USE THEREOF AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-15 EP disclosed
WO-2006011719-A1 N-SUBSTITUTED-SULFAMOYLBENZOIC ACID DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM CO., LTD. (KR) 2006-02-02 WO disclosed
WO-2006008192-A1 N-[2-(4-PYRIDINYL)ETHYL]BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-01-26 WO disclosed
WO-2006008191-A1 3-PYRIDINYLETHYLBENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-01-26 WO disclosed
WO-2004110434-A1 2-PYRROLIDONE DERIVATIVES AND USE THEREOF AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 RAB9A 3071/4885KMT2A 598/4885MEN1 1646/4885
US-20080033020-A1 3-Pyridinylethylbenzamide Derivatives as Fungicides CYP1A2, CYP4B1, CYP4F2 RAB9A 1490/4885KMT2A 1949/4885MEN1 753/4885
US-20070249690-A1 N-[2-(4-Pyridinyl)Ethyl]Benzamide Derivatives as Fungicides CYP1A2, CYP3A5, CYP4B1 RAB9A 1089/4885KMT2A 1470/4885MEN1 1158/4885

“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.