SCHEMBL4083233

SCHEMBL4083233

CC1(C)CSC(NC(=O)c2ccccc2)=N[C@]1(C)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 8/20 0.42
MEN1 O00255 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.40
PABPC1 P11940 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
EIF4H Q15056 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 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
SCHEMBL4077552 0.91 BACE1 (0.45) WDR5GAAKMT2AMEN1NPC1
SCHEMBL4083479 0.91 BACE1 (0.44) WDR5GAAKMT2AMEN1NPC1
SCHEMBL4078671 0.82 ALDH1A1 (0.38) WDR5GAAKMT2ANPC1RAB9A
SCHEMBL10295531 0.81 NPC1 (0.44) WDR5GAAKMT2AMEN1NPC1
SCHEMBL4077694 0.76 BACE1 (0.47) MAPTLMNA
SCHEMBL17907562 0.76 KMT2A (0.46) WDR5GAAKMT2AMEN1NPC1
SCHEMBL12447888 0.76 KMT2A (0.46) WDR5GAAKMT2AMEN1NPC1
SCHEMBL4077825 0.76 MEN1 (0.40) WDR5GAAKMT2AMEN1NPC1
SCHEMBL13474675 0.75 KMT2A (0.40) WDR5GAAKMT2AMEN1NPC1
SCHEMBL3304874 0.75 BACE1 (0.40) WDR5GAAKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-8884062-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2014-03-13 US disclosed
US-8541408-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2013-09-24 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2012-07-05 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 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 (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-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 WDR5 2030/4885GAA 3572/4885KMT2A 939/4885
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 WDR5 2145/4885GAA 3449/4885KMT2A 939/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 WDR5 2030/4885GAA 3572/4885KMT2A 939/4885

“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.