SCHEMBL4241671

SCHEMBL4241671

COc1cc(C(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 2/20 0.51
SIRT6 Q8N6T7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHEK1 O14757 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL31363986 1.00 ALDH1A1 (0.53) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL8626579 0.86 ALDH1A1 (0.53) ALDH1A1TDP1LMNAHPGDNPSR1
SCHEMBL23144086 0.85 ALDH1A1 (0.51) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL29811691 0.85 ALDH1A1 (0.51) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL15828734 0.85 ALDH1A1 (0.43) ALDH1A1TDP1LMNAL3MBTL1HPGD
SCHEMBL2815324 0.83 ALDH1A1 (0.46) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL2946298 0.83 CHEK1 (0.50) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL2946295 0.83 CHEK1 (0.50) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL14141587 0.82 ALDH1A1 (0.41) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL15456899 0.82 CHEK1 (0.49) ALDH1A1TDP1LMNASIRT6L3MBTL1

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 24 patents — showing the first 20. 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-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 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-7517880-B2 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2009-04-14 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-20090093526-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHCARE LLC 2009-04-09 US disclosed
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors ELI LILLY AND COMPANY 2009-03-12 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US 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
CN-1283180-A Inhibition of raf kinase using symmerical and unsymmerical substituted diphenyl ureas BAYER AG (US) 2001-02-07 CN 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 (5 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 ALDH1A1 1875/4885TDP1 1255/4885LMNA 4398/4885
US-20040102636-A1 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas MAP2K2, MAPK1, MAP2K1 ALDH1A1 1875/4885TDP1 1255/4885LMNA 4398/4885
US-20090069400-A1 Indole Sulfonamide Modulators of Progesterone Receptors PGR, NPSR1, PRLHR ALDH1A1 837/4885TDP1 2892/4885LMNA 4147/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 ALDH1A1 1875/4885TDP1 1255/4885LMNA 4398/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 ALDH1A1 2032/4885TDP1 1568/4885LMNA 4492/4885

“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.