SCHEMBL1934652

SCHEMBL1934652

O=C(NC1=N[C@]2(c3ccccc3F)COC[C@H](O)[C@H]2CS1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.42
BACE2 Q9Y5Z0 2/20 0.37
KCNH2 Q12809 3/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL9913124 1.00 BACE1 (0.42) BACE1BACE2KCNH2NPC1RAB9A
SCHEMBL3298537 0.91 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL3300681 0.91 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL7926969 0.91 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL9913316 0.91 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL3298540 0.91 BACE1 (0.45) BACE1BACE2KCNH2
SCHEMBL7928140 0.91 BACE1 (0.42) BACE1BACE2KCNH2NPC1RAB9A
SCHEMBL2619830 0.87 BACE1 (0.47) BACE1BACE2KCNH2
SCHEMBL2926816 0.87 BACE1 (0.47) BACE1BACE2KCNH2
SCHEMBL9913140 0.87 BACE1 (0.41) BACE1BACE2KCNH2

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 5 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-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
EP-2332943-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2011-06-15 EP 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 (2 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 1/4885BACE2 2/4885KCNH2 1984/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885KCNH2 2173/4885

“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.