SCHEMBL3614850

SCHEMBL3614850

CC(C)(Cc1noc(-c2ccccc2)n1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.56
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC6 Q9UBN7 3/20 0.49
LMNA P02545 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
FFAR1 O14842 1/20 0.45
NR1H4 Q96RI1 2/20 0.44
HTT P42858 1/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42

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
SCHEMBL10103644 0.82 NOTUM (0.62) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27628551 0.80 NOTUM (0.60) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1609660 0.80 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL1609094 0.79 NOTUM (0.55) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14736624 0.79 NOTUM (0.63) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11292526 0.78 NOTUM (0.58) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1437721 0.76 NOTUM (0.51) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3616245 0.75 NOTUM (0.58) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21776935 0.74 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4893220 0.74 NOTUM (0.59) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1

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 3126/4885NPC1 4174/4885RAB9A 3491/4885
US-20100035943-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP12, TIMP3, MMP9 NOTUM 3488/4885NPC1 3580/4885RAB9A 3656/4885
US-20080227833-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 NOTUM 3488/4885NPC1 3580/4885RAB9A 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.