SCHEMBL9923731

SCHEMBL9923731

c1ccc2c(c1)OCc1[nH]ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
MAOB P27338 6/20 0.42
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
LMNA P02545 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
ALPL P05186 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PGR P06401 1/20 0.35
MAOA P21397 1/20 0.35
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL9923730 0.75 KMT2A (0.32) KMT2AMAOB
SCHEMBL10599 0.75 AAK1 (0.36)
SCHEMBL12480 0.74 KMT2A (0.30) KMT2A
SCHEMBL9923729 0.74 AXL (0.33) KMT2AMAOBGAASMN1; SMN2THRB
SCHEMBL10176739 0.73 KMT2A (0.59) KMT2AMAOBPKMTSHRLMNA
SCHEMBL9923728 0.72 AXL (0.34) TSHRLMNAKDM4ESMN1; SMN2HTT
SCHEMBL20831516 0.71 ITGB2 (0.72) KMT2AMAOBPKMTSHRITGB2
SCHEMBL132696 0.70 MAOB (0.60) KMT2AMAOBPKMTSHRITGB2
SCHEMBL29799860 0.70 MAOB (0.60) KMT2AMAOBPKMTSHRITGB2
SCHEMBL29395306 0.70 MAOB (0.60) KMT2AMAOBPKMTSHRITGB2

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-9687494-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2017-06-27 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-12-22 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 US disclosed
US-9475785-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-10-25 US disclosed
US-9428475-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
US-9428475-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-08-30 US disclosed
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use MERCK SHARP & DOHME CORP. (US) 2015-10-29 US disclosed
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use MERCK SHARP & DOHME CORP. (US) 2015-10-29 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-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-8557826-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8557826-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
WO-2012138590-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2012-10-11 WO disclosed
US-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE SCHERING CORPORATION (US) 2012-08-02 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-06-14 US 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 (6 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-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, APP, BACE2 KMT2A 4147/4885MAOB 455/4885PKM 3205/4885
US-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP KMT2A 3345/4885MAOB 113/4885PKM 3787/4885
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use BACE1, BACE2, APP KMT2A 3201/4885MAOB 127/4885PKM 3734/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP KMT2A 3435/4885MAOB 117/4885PKM 3632/4885
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 KMT2A 2560/4885MAOB 123/4885PKM 2275/4885
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 KMT2A 3778/4885MAOB 340/4885PKM 1868/4885

“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.