SCHEMBL4237996

SCHEMBL4237996

CCCOC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 2/20 0.62
RAB9A P51151 6/20 0.52
HPGD P15428 5/20 0.52
NPC1 O15118 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 5/20 0.49
KDM4E B2RXH2 2/20 0.49
CASP1 P29466 1/20 0.49
MCL1 Q07820 1/20 0.49
EGFR P00533 2/20 0.46
KDR P35968 2/20 0.46
MAPK14 Q16539 1/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 2/20 0.45
MEN1 O00255 1/20 0.45
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44

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
SCHEMBL1021995 0.92 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPK1RAB9AHPGD
SCHEMBL2070195 0.92 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1MAPK1RAB9AHPGD
SCHEMBL10875405 0.92 RAB9A (0.64) SMN1; SMN2ALDH1A1MAPK1RAB9AHPGD
SCHEMBL22700779 0.91 RAB9A (0.50) SMN1; SMN2ALDH1A1MAPK1RAB9AHPGD
SCHEMBL11138867 0.89 NPC1 (0.58) SMN1; SMN2ALDH1A1MAPK1RAB9AHPGD
SCHEMBL10895369 0.89 NPC1 (0.58) SMN1; SMN2ALDH1A1MAPK1RAB9AHPGD
SCHEMBL11133582 0.89 NPC1 (0.58) SMN1; SMN2ALDH1A1MAPK1RAB9AHPGD
SCHEMBL27110837 0.88 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPK1RAB9AHPGD
SCHEMBL27101330 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1RAB9AHPGD
SCHEMBL19399318 0.84 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPK1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 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
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 SMN1; SMN2 3312/4885ALDH1A1 1875/4885MAPK1 2/4885
US-20040102636-A1 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas MAP2K2, MAPK1, MAP2K1 SMN1; SMN2 3312/4885ALDH1A1 1875/4885MAPK1 2/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 SMN1; SMN2 3312/4885ALDH1A1 1875/4885MAPK1 2/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 SMN1; SMN2 3922/4885ALDH1A1 2032/4885MAPK1 81/4885

“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.