SCHEMBL2581136

SCHEMBL2581136

COC(=O)c1ccc(C=NCc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL2581135 1.00 NPC1 (0.58) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL2215434 0.92 L3MBTL1 (0.60) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL2215429 0.92 L3MBTL1 (0.60) NPC1RAB9AALDH1A1CA1CA2
Hydrochloric Acid SCHEMBL5676903 0.92 LOXL2 (0.65) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL21715570 0.88 POLB (0.54) NPC1RAB9AALDH1A1GRIN2DGRIN3B
SCHEMBL19439618 0.85 ALDH1A1 (0.59) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL27627334 0.84 NPC1 (0.56) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL13913417 0.79 LOXL2 (0.51) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL9292137 0.78 SMN1; SMN2 (0.59) NPC1RAB9AALDH1A1CA1CA2
SCHEMBL9292140 0.78 SMN1; SMN2 (0.59) NPC1RAB9AALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-8048878-B2 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-11-01 US disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
CN-101312972-A Bicyclic cinnamide compound EISAI R&D MAN CO LTD (JP) 2008-11-26 CN disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 US disclosed
EP-1618157-B1 USE OF POLYANHYDRIDES IN ANTIFOULING PAINT AND ANTIFOULING PAINT CONTAINING POLYANHYDRIDES JOTUN AS (NO) 2007-03-14 EP 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 NPC1 116/4885RAB9A 2810/4885ALDH1A1 869/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 NPC1 116/4885RAB9A 2810/4885ALDH1A1 869/4885

“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.