SCHEMBL13548

SCHEMBL13548

CCCn1ncc2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.49
EGFR P00533 3/20 0.41
GLS O94925 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
CACNA1H O95180 2/20 0.39
SLC6A2 P23975 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CYP1A2 P05177 1/20 0.37
MCL1 Q07820 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2B P41595 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL21780866 0.89 KMO (0.46) KMOEGFRGLSHTR2AHTR2C
SCHEMBL30928551 0.86 KMO (0.44) KMOEGFRGLSHTR2AHTR2C
SCHEMBL13528 0.86 KMO (0.44) KMOEGFRGLSHTR2AHTR2C
SCHEMBL109465 0.85 KMO (0.50) KMOEGFRGLSHTR2AHTR2C
SCHEMBL29804486 0.83 KMO (0.52) KMOEGFRGLSHTR2AHTR2C
SCHEMBL21183580 0.83 KMO (0.49) KMOEGFRGLSHTR2AHTR2C
SCHEMBL15447295 0.83 KMO (0.52) KMOEGFRGLSHTR2AHTR2C
SCHEMBL27799511 0.83 KMO (0.50) KMOEGFRGLSHTR2AHTR2C
SCHEMBL23533615 0.83 EGFR (0.55) KMOEGFRGLSHTR2AHTR2C
SCHEMBL14910174 0.83 MAOB (0.51) KMOEGFRGLSHTR2AHTR2C

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 6 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-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
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 KMO 2129/4885EGFR 1940/4885GLS 1480/4885

“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.