Sugi Predict

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SCHEMBL2622883

SCHEMBL2622883

Cc1ccc([N+](=O)[O-])cc1[C@]12CCOC[C@H]1CSC(NC(=O)OC(C)(C)C)=N2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ GNRHR P30968 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ BCL2 P10415 2/20 0.32
▸ BECN1 Q14457 2/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13009265 0.91 BACE1 (0.37) SIRT2DRD2NPC1RAB9AGNRHR
SCHEMBL2620022 0.91 BACE1 (0.37) SIRT2DRD2NPC1RAB9AGNRHR
SCHEMBL8023151 0.91 BACE1 (0.37) SIRT2DRD2NPC1RAB9AGNRHR
SCHEMBL2619972 0.88 GNRHR (0.35) SIRT2DRD2NPC1RAB9AGNRHR
SCHEMBL12391065 0.87 NPC1 (0.37) SIRT2DRD2NPC1RAB9APOLB
SCHEMBL2622882 0.87 BACE1 (0.32) —
SCHEMBL2619823 0.84 BACE1 (0.37) —
SCHEMBL13009269 0.83 BACE1 (0.44) SIRT2DRD2GNRHRHTTALDH1A1
SCHEMBL8030093 0.83 BACE1 (0.44) SIRT2DRD2GNRHRHTTALDH1A1
SCHEMBL8034905 0.83 BACE1 (0.38) —

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
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 — — US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 — — US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 — — US disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 — — US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 — — 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 (3 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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SIRT2 2784/4885DRD2 289/4885NPC1 398/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SIRT2 2784/4885DRD2 289/4885NPC1 398/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 SIRT2 1835/4885DRD2 485/4885NPC1 654/4885

“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.