SCHEMBL668217

SCHEMBL668217

NC(=O)N(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.58
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
SRD5A2 P31213 1/20 0.47
LTA4H P09960 2/20 0.47
NR1H2 P55055 1/20 0.47
BAX Q07812 1/20 0.47
MAOA P21397 1/20 0.47
NR3C1 P04150 1/20 0.46
TSHR P16473 1/20 0.46
CTNNB1 P35222 1/20 0.46
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45

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
SCHEMBL2234949 0.87 CA2 (0.68) PARP10SMN1; SMN2SOS1CA1CA2
SCHEMBL21295427 0.82 ATM (0.55) PARP10ATMTDP1L3MBTL1SMN1; SMN2
SCHEMBL28844152 0.81 TRPM8 (0.56) PARP10ATMTDP1L3MBTL1TSHR
SCHEMBL653551 0.81 PARP10 (0.55) PARP10SMN1; SMN2SRD5A2LTA4HNR1H2
SCHEMBL75883 0.81 NPSR1 (0.64) ATMTDP1L3MBTL1SMN1; SMN2TSHR
SCHEMBL28148401 0.81 NPSR1 (0.64) ATMTDP1L3MBTL1SMN1; SMN2TSHR
SCHEMBL75885 0.81 NPSR1 (0.64) ATMTDP1L3MBTL1SMN1; SMN2TSHR
Water SCHEMBL27597764 0.80 TRPM8 (0.55) PARP10ATMTDP1L3MBTL1TSHR
Diphenylether SCHEMBL27544508 0.79 PARP10 (0.61) PARP10SMN1; SMN2SRD5A2LTA4HNR1H2
Urea SCHEMBL23005263 0.79 NPSR1 (0.61) ATMTDP1L3MBTL1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
EP-1041982-B1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC (US) 2011-10-19 EP disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP disclosed
CN-1544420-A Inhibition of raf kinase using substituted heterocyclic ureas 2004-11-10 CN disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 PARP10 2976/4885ATM 1420/4885TDP1 1729/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 PARP10 2976/4885ATM 1420/4885TDP1 1729/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF PARP10 2343/4885ATM 670/4885TDP1 2205/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF PARP10 2343/4885ATM 670/4885TDP1 2205/4885

“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.