SCHEMBL3302977

SCHEMBL3302977

O=C(NC1=NC2(c3cc(Br)ccc3F)COCCC2CS1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.48
KCNH2 Q12809 2/20 0.46
CYP2D6 P10635 1/20 0.46
BACE2 Q9Y5Z0 3/20 0.43
CTSD P07339 1/20 0.39

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
SCHEMBL3302981 1.00 BACE1 (0.48) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL967092 0.91 BACE1 (0.49) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL967582 0.91 BACE1 (0.49) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL6877012 0.91 BACE1 (0.49) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL12557551 0.89 BACE1 (0.61) BACE1KCNH2CYP2D6
SCHEMBL19218181 0.86 BACE1 (0.61) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL15959593 0.86 BACE1 (0.61) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL19868127 0.84 BACE1 (0.49) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL15783603 0.84 BACE1 (0.49) BACE1KCNH2CYP2D6BACE2CTSD
SCHEMBL15769148 0.84 BACE1 (0.54) BACE1KCNH2

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 1/4885KCNH2 1984/4885CYP2D6 1117/4885

“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.