SCHEMBL3616245

SCHEMBL3616245

CC(C)(Cc1nc(-c2ccccc2)no1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.58
▸ TSHR P16473 3/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ RAB9A P51151 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ KLF5 Q13887 1/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL15471161 0.86 RAB9A (0.63) NOTUMTSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL14736868 0.83 NOTUM (0.58) NOTUMTSHRALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL14736041 0.82 NOTUM (0.57) NOTUMTSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL14736589 0.82 PDE10A (0.56) NOTUMTSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL1609985 0.81 NOTUM (0.55) NOTUMTSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL27609469 0.80 NOTUM (0.58) NOTUMTSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL14736736 0.80 NOTUM (0.63) NOTUMTSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL10312555 0.80 TSHR (0.56) TSHRALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6619965 0.80 TSHR (0.56) NOTUMTSHRALDH1A1CYP1A2CYP2C19
SCHEMBL22442352 0.79 TSHR (0.59) NOTUMTSHRALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050222189-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP9, TIMP3, MMP13 NOTUM 3126/4885TSHR 1581/4885ALDH1A1 219/4885
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP12, TIMP3, MMP9 NOTUM 3488/4885TSHR 1756/4885ALDH1A1 193/4885
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 NOTUM 3488/4885TSHR 1756/4885ALDH1A1 193/4885

“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.

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