SCHEMBL2172885

SCHEMBL2172885

O=C(CNC1CN(c2ccccc2)CC[N]1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
NOTUM Q6P988 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MCHR1 Q99705 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CES1 P23141 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38

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
SCHEMBL5802210 0.77 DRD2 (0.46) ADRB1NOTUMSMN1; SMN2NPSR1MAPT
SCHEMBL2524098 0.70 NOTUM (0.45) ADRB1NOTUMHDAC1HDAC8TSHR
SCHEMBL3723808 0.69 NOTUM (0.47) ADRB1NOTUMNPSR1MAPTMAPK1
SCHEMBL2172883 0.68 NOTUM (0.41) ADRB1NOTUMSMN1; SMN2MCHR1MAPT
SCHEMBL3867134 0.67 MEN1 (0.59) SMN1; SMN2MAPTMAPK1KDM4EMEN1
SCHEMBL13125741 0.66 MAOB (0.46) SMN1; SMN2MAPTMAPK1KDM4EMEN1
SCHEMBL2429745 0.66 MAPT (0.47) NOTUMNPSR1MAPTMAPK1MEN1
SCHEMBL6526654 0.66 NOTUM (0.42) ADRB1NOTUMSMN1; SMN2NPSR1MAPT
SCHEMBL2094438 0.64 MAPK1 (0.45) ADRB1NOTUMNPSR1MAPTMAPK1
SCHEMBL8930279 0.64 MEN1 (0.60) SMN1; SMN2MAPTMAPK1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853243-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2014-10-07 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 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 (3 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 ADRB1 4636/4885NOTUM 409/4885SMN1; SMN2 4489/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 ADRB1 4424/4885NOTUM 1104/4885SMN1; SMN2 4055/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ADRB1 4572/4885NOTUM 449/4885SMN1; SMN2 4463/4885

“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.