SCHEMBL2172248

SCHEMBL2172248

CCC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.64
MTNR1B P49286 1/20 0.64
POLB P06746 1/20 0.61
FNTA P49354 2/20 0.60
FNTB P49356 2/20 0.60
HPGD P15428 4/20 0.59
ALDH1A1 P00352 3/20 0.59
TSHR P16473 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LTA4H P09960 1/20 0.59
GAA P10253 1/20 0.59
GALR3 O60755 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
MAPK14 Q16539 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
SCHEMBL14447211 1.00 MTNR1A (0.64) MTNR1AMTNR1BPOLBFNTAFNTB
SCHEMBL14447213 0.90 MTNR1A (0.54) MTNR1AMTNR1BPOLBFNTAFNTB
SCHEMBL2625088 0.89 POLB (0.76) POLBHPGDALDH1A1SMN1; SMN2GAA
SCHEMBL14447210 0.87 MTNR1B (0.66) MTNR1AMTNR1BPOLBHPGDALDH1A1
SCHEMBL2173035 0.86 MTNR1A (0.73) MTNR1AMTNR1BPOLBHPGDALDH1A1
SCHEMBL2169725 0.86 MTNR1A (0.78) MTNR1AMTNR1BPOLBFNTAFNTB
SCHEMBL11646606 0.85 LTA4H (0.62) POLBFNTAFNTBHPGDALDH1A1
SCHEMBL2170997 0.85 MTNR1A (0.62) MTNR1AMTNR1BPOLBFNTAFNTB
SCHEMBL2171671 0.85 L3MBTL1 (0.68) MTNR1AMTNR1BFNTAFNTBHPGD
SCHEMBL23323205 0.83 POLB (0.68) POLBFNTAFNTBHPGDALDH1A1

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 5 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP 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 (2 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 MTNR1A 4231/4885MTNR1B 3950/4885POLB 2292/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MTNR1A 4231/4885MTNR1B 3950/4885POLB 2292/4885

“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.