SCHEMBL3302012

SCHEMBL3302012

O=C(O)NC1=NC2(c3cc([N+](=O)[O-])ccc3F)COCCC2CS1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.45
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 1/20 0.45
BACE2 Q9Y5Z0 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL3302018 1.00 BACE1 (0.45) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL3302020 1.00 BACE1 (0.45) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL2933606 0.91 BACE1 (0.48) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL2933604 0.91 BACE1 (0.48) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL2933602 0.91 BACE1 (0.48) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL7918850 0.88 BACE1 (0.43) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL9913097 0.88 BACE1 (0.43) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL7918889 0.88 BACE1 (0.43) BACE1CYP2D6KCNH2BACE2L3MBTL1
SCHEMBL3774085 0.86 BACE1 (0.47) BACE1BACE2L3MBTL1RAB9AMAPT
SCHEMBL3774088 0.86 BACE1 (0.47) BACE1BACE2L3MBTL1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332943-B1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-04-22 EP disclosed
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP BACE1 1/4885CYP2D6 1117/4885KCNH2 1984/4885

“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.