SCHEMBL4083671

SCHEMBL4083671

CC(C)(C)OC(=O)NC1=N[C@](C)(c2cc([N+](=O)[O-])ccc2F)C(OCc2ccccc2)CS1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
CYP19A1 P11511 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
BCL2 P10415 1/20 0.35
BECN1 Q14457 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.34
BACE1 P56817 3/20 0.34
RORC P51449 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
GNRHR P30968 1/20 0.34
HTT P42858 2/20 0.34
GAA P10253 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
SCHEMBL4077834 0.88 BACE1 (0.38) BACE1RORCBACE2
SCHEMBL4077825 0.88 MEN1 (0.40) LMNACYP19A1ALDH1A1KDM4EMEN1
SCHEMBL15177656 0.87 POLB (0.37) LMNAALDH1A1KDM4EMEN1MAPT
SCHEMBL10295532 0.84 BACE1 (0.39) BCL2BECN1ALDH1A1MEN1MAPT
SCHEMBL4074644 0.81 BACE1 (0.42) CYP19A1MEN1MAPTKMT2ABACE1
SCHEMBL15177655 0.78 IRAK4 (0.37) ALDH1A1MEN1MAPTKMT2ABACE1
SCHEMBL4082830 0.77 BACE1 (0.43) BACE1BACE2
SCHEMBL2619925 0.76 ALDH1A1 (0.36) BCL2BECN1ALDH1A1MAPTALOX5
SCHEMBL2619932 0.76 ALDH1A1 (0.36) BCL2BECN1ALDH1A1MAPTALOX5
SCHEMBL2622819 0.76 SIRT2 (0.36) BCL2BECN1ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 LMNA 1852/4885CYP19A1 824/4885ITGA4 4351/4885

“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.