SCHEMBL10328702

SCHEMBL10328702

O=C(OCl)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.43
LIPE Q05469 1/20 0.42
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
PTGS1 P23219 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RPS6KA3 P51812 1/20 0.39
SCN9A Q15858 1/20 0.38

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
SCHEMBL30397090 0.83 KMT2A (0.62) KMT2AMAPK1LMNALIPEPOLB
SCHEMBL472553 0.83 KMT2A (0.62) KMT2AMAPK1LMNALIPEPOLB
Ammonia Solution, Strong SCHEMBL28197882 0.81 KMT2A (0.60) KMT2AMAPK1LMNALIPEPOLB
SCHEMBL9779781 0.80 KMT2A (0.68) KMT2AMAPK1LMNALIPEPTGS1
SCHEMBL27680503 0.80 KMT2A (0.72) KMT2AMAPK1LMNAPOLBGAA
SCHEMBL29664542 0.79 POLB (0.57) KMT2ALMNAPOLBGAANPC1
SCHEMBL5440798 0.79 POLB (0.57) KMT2ALMNAPOLBGAANPC1
SCHEMBL31532327 0.78 KMT2A (0.70) KMT2AMAPK1NPC1RAB9A
SCHEMBL211804 0.78 KMT2A (0.70) KMT2AMAPK1NPC1RAB9A
SCHEMBL31424922 0.77 KMT2A (0.64) KMT2AMAPK1LIPEPTGS1NPC1

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 28 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-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
EP-3034080-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2016-06-22 EP disclosed
EP-2964644-A1 PERFLUORINATED CYCLOPROPYL FUSED 1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2016-01-13 EP 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-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-8729071-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
CN-103396403-A Insecticidal compound SYNGENTA PARTICIPATIONS A G 2013-11-20 CN disclosed
CN-102026997-B Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2013-10-16 CN disclosed
CN-102105461-B Insecticidal phenyl- or pyridyl-piperidine compounds SYNGENTA PARTICIPATIONS AG 2013-07-10 CN disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
CN-102105461-A Insecticidal phenyl- or pyridyl-piperidine compounds SYNGENTA PARTICIPATIONS AG 2011-06-22 CN disclosed
CN-102026997-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2011-04-20 CN disclosed
WO-2011044181-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 (4 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-20160367563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP KMT2A 3345/4885MAPK1 3679/4885LMNA 501/4885
US-20150307465-A1 Iminothiadiazine Dioxide Compounds as BACE Inhibitors, Compositions and Their Use BACE1, BACE2, APP KMT2A 3201/4885MAPK1 3262/4885LMNA 496/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP KMT2A 3435/4885MAPK1 3584/4885LMNA 457/4885
US-20140206675-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, APP KMT2A 3454/4885MAPK1 3592/4885LMNA 437/4885

“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.