SCHEMBL8736731

SCHEMBL8736731

Cc1ccc(Oc2ccc(NC(=O)CC(C)C)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.67
FNTA P49354 3/20 0.64
FNTB P49356 3/20 0.64
PTPN1 P18031 1/20 0.63
MAPT P10636 3/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 3/20 0.62
MEN1 O00255 2/20 0.62
LTA4H P09960 1/20 0.59
ALDH1A1 P00352 2/20 0.57
NLRP1 Q9C000 1/20 0.57
MAPK14 Q16539 1/20 0.57
HPGD P15428 2/20 0.56
LMNA P02545 1/20 0.56
GALR3 O60755 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL8361578 0.90 PTPN1 (0.76) PTPN1MAPTMAPK1POLBALDH1A1
SCHEMBL15474251 0.86 MTNR1B (0.69) MTNR1BFNTAFNTBMAPK1KMT2A
SCHEMBL21765873 0.83 PTPN1 (0.88) MTNR1BPTPN1MAPTMAPK1ALDH1A1
SCHEMBL8737909 0.83 PTPN1 (0.65) PTPN1MAPTMAPK1POLBALDH1A1
SCHEMBL14447211 0.82 MTNR1A (0.64) MTNR1BFNTAFNTBMAPTMAPK1
SCHEMBL2172248 0.82 MTNR1A (0.64) MTNR1BFNTAFNTBMAPTMAPK1
SCHEMBL6511328 0.82 MTNR1B (0.72) MTNR1BPTPN1MAPTMAPK1KMT2A
SCHEMBL11646606 0.81 LTA4H (0.62) FNTAFNTBMAPTMAPK1KMT2A
SCHEMBL23323205 0.79 POLB (0.68) FNTAFNTBMAPTKMT2APOLB
SCHEMBL10294767 0.79 MAPT (0.73) MTNR1BPTPN1MAPTMAPK1KMT2A

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 4 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
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US 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 MTNR1B 3950/4885FNTA 2682/4885FNTB 2383/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MTNR1B 3950/4885FNTA 2682/4885FNTB 2383/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF MTNR1B 4788/4885FNTA 1810/4885FNTB 913/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF MTNR1B 4788/4885FNTA 1810/4885FNTB 913/4885

“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.