SCHEMBL4077552

SCHEMBL4077552

C[C@]1(c2cc([N+](=O)[O-])ccc2F)N=C(NC(=O)c2ccccc2)SCC1(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.45
BACE2 Q9Y5Z0 1/20 0.43
KMT2A Q03164 8/20 0.41
MEN1 O00255 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
WDR5 P61964 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.39
PABPC1 P11940 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
EIF4H Q15056 1/20 0.38
CTDSP1 Q9GZU7 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
SCHEMBL4083233 0.91 WDR5 (0.43) KMT2AMEN1NPC1RAB9AMITF
SCHEMBL4083479 0.90 BACE1 (0.44) BACE1BACE2KMT2AMEN1NPC1
SCHEMBL10295531 0.82 NPC1 (0.44) BACE1BACE2KMT2AMEN1NPC1
SCHEMBL4077560 0.76 BACE1 (0.53) BACE1BACE2MAPTLMNA
SCHEMBL12447888 0.75 KMT2A (0.46) BACE1BACE2KMT2AMEN1NPC1
SCHEMBL17907562 0.75 KMT2A (0.46) BACE1BACE2KMT2AMEN1NPC1
SCHEMBL4077825 0.75 MEN1 (0.40) BACE1BACE2KMT2AMEN1NPC1
SCHEMBL13474675 0.75 KMT2A (0.40) BACE1BACE2KMT2AMEN1NPC1
SCHEMBL3304874 0.74 BACE1 (0.40) BACE1BACE2KMT2AMEN1NPC1
SCHEMBL3306961 0.74 BACE1 (0.40) BACE1BACE2KMT2AMEN1NPC1

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 BACE1 6/4885BACE2 14/4885KMT2A 939/4885
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 5/4885BACE2 14/4885KMT2A 939/4885
US-20140073815-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 BACE1 6/4885BACE2 14/4885KMT2A 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.