SCHEMBL4074644

SCHEMBL4074644

C[C@]1(c2cc([N+](=O)[O-])ccc2F)N=C(N)SCC1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.42
BACE2 Q9Y5Z0 7/20 0.42
CYP19A1 P11511 3/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
PDE1C Q14123 1/20 0.35

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
SCHEMBL4179891 0.84 BACE1 (0.42) BACE1BACE2
SCHEMBL4077825 0.83 MEN1 (0.40) BACE1BACE2CYP19A1MEN1MAPT
SCHEMBL4083671 0.81 LMNA (0.36) BACE1BACE2CYP19A1MEN1MAPT
SCHEMBL10295552 0.79 BACE1 (0.48) BACE1BACE2
SCHEMBL4084027 0.75 BACE1 (0.71) BACE1BACE2
SCHEMBL15177655 0.71 IRAK4 (0.37) BACE1BACE2MEN1MAPTKMT2A
SCHEMBL4077834 0.71 BACE1 (0.38) BACE1BACE2
SCHEMBL4074340 0.70 BACE1 (0.58) BACE1BACE2
SCHEMBL2108062 0.69 BACE1 (0.43) BACE1BACE2
SCHEMBL2619896 0.69 BACE1 (0.43) BACE1BACE2

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 BACE1 5/4885BACE2 14/4885CYP19A1 824/4885

“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.