SCHEMBL5961479

SCHEMBL5961479

CCOC(=O)c1cnc2onc(C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
CREBBP Q92793 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 9/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 5/20 0.44
IDO1 P14902 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL5961502 0.79 HPGD (0.53) HPGDMEN1KMT2ATP53ALDH1A1
SCHEMBL3491814 0.75 CYP2C9 (0.44) HPGDMEN1KMT2ATP53CYP2C9
SCHEMBL26412819 0.73 CYP2C9 (0.56) KMT2ABRD4BRD2CREBBPCYP2C9
SCHEMBL8832176 0.73 IDO1 (0.53) HPGDKMT2AALDH1A1KDM4EIDO1
SCHEMBL26014329 0.72 MEN1 (0.40) HPGDMEN1KMT2ATP53BRD4
SCHEMBL277286 0.72 CYP2C9 (0.54) HPGDMEN1KMT2ACYP2C9CYP2C19
SCHEMBL28426533 0.72 CA12 (0.57) CYP2C9CYP2C19TDP1SMN1; SMN2CA12
SCHEMBL7418388 0.71 MAOB (0.47) HPGDMEN1KMT2ACYP2C9CYP2C19
SCHEMBL1101119 0.71 MAOB (0.47) MEN1KMT2ATP53CYP2C9CYP2C19
SCHEMBL17295856 0.71 CYP2C9 (0.53) MEN1KMT2ACYP2C9CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6992086-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-01-31 US disclosed
US-20040077680-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-04-22 US disclosed
US-6670364-B2 For example (1,3-dimethylpyrazolo(5,4-b)pyridin-5-yl)-N-(((4-fluorophenyl) amino)carbonyl)-carboxamide; useful in prevention or treatment of chronic or acute inflammatory or autoimmune diseases TELIK, INC. 2003-12-30 US disclosed
EP-1358188-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-05 EP disclosed
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-22 US disclosed
WO-2002060900-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-08-08 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 (2 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-20040077680-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 HPGD 2301/4885MEN1 2137/4885KMT2A 4525/4885
US-20030096705-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 HPGD 2301/4885MEN1 2137/4885KMT2A 4525/4885

“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.