SCHEMBL3304874

SCHEMBL3304874

C[C@H]1COC[C@]2(c3cc([N+](=O)[O-])ccc3F)N=C(NC(=O)c3ccccc3)SC[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
BACE2 Q9Y5Z0 3/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 1/20 0.37
WDR5 P61964 1/20 0.37
MAPT P10636 2/20 0.37
KCNH2 Q12809 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSD P07339 1/20 0.36
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 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
SCHEMBL3306961 1.00 BACE1 (0.40) BACE1RAB9ANPC1BACE2KMT2A
SCHEMBL3304870 1.00 BACE1 (0.40) BACE1RAB9ANPC1BACE2KMT2A
SCHEMBL3298537 0.86 BACE1 (0.45) BACE1BACE2KCNH2CTSD
SCHEMBL7926969 0.86 BACE1 (0.45) BACE1BACE2KCNH2CTSD
SCHEMBL3298540 0.86 BACE1 (0.45) BACE1BACE2KCNH2CTSD
SCHEMBL9913316 0.86 BACE1 (0.45) BACE1BACE2KCNH2CTSD
SCHEMBL3300681 0.86 BACE1 (0.45) BACE1BACE2KCNH2CTSD
SCHEMBL9913132 0.86 DRD2 (0.35) BACE1BACE2GAAL3MBTL1
SCHEMBL9913133 0.86 DRD2 (0.35) BACE1BACE2GAAL3MBTL1
SCHEMBL7925298 0.86 DRD2 (0.35) BACE1BACE2GAAL3MBTL1

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 1/4885RAB9A 1543/4885NPC1 407/4885

“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.