SCHEMBL1609985

SCHEMBL1609985

CC(C)(CN)Cc1nc(-c2ccccc2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
TSHR P16473 5/20 0.53
RAB9A P51151 9/20 0.53
NPC1 O15118 7/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTR1A P08908 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL14736868 0.84 NOTUM (0.58) NOTUMTSHRRAB9ANPC1L3MBTL1
SCHEMBL15471161 0.84 RAB9A (0.63) NOTUMTSHRRAB9ANPC1L3MBTL1
Hydrochloric Acid SCHEMBL14736041 0.83 NOTUM (0.57) NOTUMTSHRRAB9ANPC1L3MBTL1
SCHEMBL27609469 0.81 NOTUM (0.58) NOTUMTSHRRAB9ANPC1L3MBTL1
SCHEMBL3616245 0.81 NOTUM (0.58) NOTUMTSHRRAB9ANPC1L3MBTL1
SCHEMBL12477652 0.79 NOTUM (0.69) NOTUMTSHRRAB9ANPC1L3MBTL1
SCHEMBL6619965 0.78 TSHR (0.56) NOTUMTSHRCYP1A2CYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL5656477 0.77 NOTUM (0.67) NOTUMTSHRRAB9ANPC1L3MBTL1
SCHEMBL14736563 0.76 RAB9A (0.70) NOTUMTSHRRAB9ANPC1L3MBTL1
SCHEMBL91541 0.75 NOTUM (0.68) NOTUMTSHRRAB9ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2011-04-14 US disclosed
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (OXFORD) LTD (GB) 2010-02-11 US disclosed
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2008-09-18 US disclosed
US-7358265-B2 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (R&D) LTD 2008-04-15 US disclosed
EP-1476438-B1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2007-04-18 EP disclosed
US-20050222189-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (OXFORD) LTD (GB) 2005-10-06 US disclosed
WO-2004101537-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-11-25 WO disclosed
EP-1476438-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS Vernalis (Oxford) Ltd (GB) 2004-11-17 EP disclosed
WO-2003070711-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2003-08-28 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-20050222189-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP9, TIMP3, MMP13 NOTUM 3126/4885TSHR 1581/4885RAB9A 3491/4885
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP12, TIMP3, MMP9 NOTUM 3488/4885TSHR 1756/4885RAB9A 3656/4885
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 NOTUM 3488/4885TSHR 1756/4885RAB9A 3656/4885
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 NOTUM 3488/4885TSHR 1756/4885RAB9A 3656/4885

“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.