SCHEMBL3211086

SCHEMBL3211086

Nc1ccccc1N1C(=O)CCC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
KEAP1 Q14145 1/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
CASP6 P55212 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRA2C P18825 1/20 0.42
MEN1 O00255 4/20 0.42
TP53 P04637 2/20 0.42
USP2 O75604 2/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAF1 P04049 1/20 0.39
MAPK3 P27361 1/20 0.39

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
SCHEMBL29978713 0.92 POLB (0.53) KMT2AKEAP1GAAKDM4EPOLB
SCHEMBL23043603 0.92 POLB (0.53) KMT2AKEAP1GAAKDM4EPOLB
SCHEMBL6341570 0.84 TLR9 (0.52) KMT2APOLBMEN1TP53MAPK1
Hydrochloric Acid SCHEMBL9819442 0.77 ADRA2C (0.44) KMT2AKEAP1GAAKDM4EPOLB
SCHEMBL14495113 0.77 KEAP1 (0.48) KMT2AKEAP1GAAKDM4EADRA2C
SCHEMBL3164029 0.76 TLR9 (0.70) KMT2AKEAP1GAAKDM4ETDP1
SCHEMBL29510530 0.76 TLR9 (0.70) KMT2AKEAP1GAAKDM4ETDP1
SCHEMBL3382926 0.75 KMT2A (0.56) KMT2AKEAP1GAAKDM4EPOLB
SCHEMBL3381865 0.75 KMT2A (0.56) KMT2AKEAP1GAAKDM4EPOLB
SCHEMBL3380658 0.75 KMT2A (0.56) KMT2AKEAP1GAAKDM4EPOLB

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
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-7517880-B2 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20090093526-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHCARE LLC 2009-04-09 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed
EP-1616865-A1 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas Bayer Pharmaceuticals Corporation (US) 2006-01-18 EP disclosed
EP-1042305-B1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER PHARMACEUTICALS CORP (US) 2005-06-08 EP disclosed
EP-1049664-B1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER PHARMACEUTICALS CORP (US) 2005-03-16 EP disclosed
EP-1449834-A2 Inhibition of raf kinase using symmetrical and unsymmetrical substituted diphenyl ureas Bayer Corporation (US) 2004-08-25 EP disclosed
US-20040102636-A1 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas BAYER CORPORATION 2004-05-27 US disclosed
EP-1042305-A4 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER AG (US) 2003-05-14 EP disclosed
EP-1049664-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS Bayer Corporation (US) 2000-11-08 EP disclosed
EP-1042305-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032436-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032463-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 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 (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-20090093526-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 KMT2A 2870/4885KEAP1 2179/4885GAA 1098/4885
US-20040102636-A1 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas MAP2K2, MAPK1, MAP2K1 KMT2A 2870/4885KEAP1 2179/4885GAA 1098/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B KMT2A 764/4885KEAP1 1296/4885GAA 704/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 KMT2A 1888/4885KEAP1 1021/4885GAA 3305/4885

“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.