SCHEMBL13350

SCHEMBL13350

CCc1nc2cc(C(C)=O)ccc2n1Cc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.54
CNR2 P34972 5/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
NLRP3 Q96P20 1/20 0.52
PPARG P37231 2/20 0.52
CNR1 P21554 1/20 0.51
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
TSPO P30536 1/20 0.47
ALOX5AP P20292 2/20 0.47
DCTPP1 Q9H773 1/20 0.46

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
SCHEMBL21609024 0.81 PDE1B (0.50) TBXA2RCNR2MAPTNPC1NLRP3
SCHEMBL11890772 0.80 F2 (0.44) TBXA2RCNR2MAPTNPC1NLRP3
SCHEMBL8036202 0.77 PPARG (0.65) TBXA2RCNR2PPARGAGTR1AGTR2
SCHEMBL19987318 0.76 KDM4E (0.68) CNR2MAPTNPC1NLRP3PPARG
SCHEMBL6171734 0.76 PPARG (0.66) CNR2PPARGCNR1AGTR1AGTR2
SCHEMBL8040521 0.75 PPARG (0.68) TBXA2RPPARGAGTR1AGTR2
SCHEMBL22533357 0.74 KMT2A (0.52) CNR2PPARGCNR1F2F10
SCHEMBL6170888 0.74 SIRT2 (0.55) CNR2MAPTNPC1NLRP3PPARG
SCHEMBL12004096 0.73 KDM4E (0.52) TBXA2RCNR2MAPTNPC1NLRP3
SCHEMBL21540396 0.72 TDP1 (0.70) MAPTNPC1NLRP3TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485591-B1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 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 (1 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-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 TBXA2R 919/4885CNR2 1998/4885MAPT 6/4885

“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.