Sugi Predict

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SCHEMBL2286573

SCHEMBL2286573

COc1cccc(C(=O)Nc2cccc(C3(c4ccccc4)COC(N)=N3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ KCNK3 O14649 2/20 0.57
▸ KCNK9 Q9NPC2 2/20 0.57
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ POLB P06746 1/20 0.54
▸ NLRP3 Q96P20 1/20 0.54
▸ TSHR P16473 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ BACE1 P56817 2/20 0.52
▸ BACE2 Q9Y5Z0 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ TP53 P04637 2/20 0.51
▸ HCRTR1 O43613 1/20 0.51
▸ HCRTR2 O43614 1/20 0.51
▸ HTT P42858 2/20 0.49

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
Formic Acid SCHEMBL2285017 0.96 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL13760913 0.88 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL7869403 0.87 KCNK3 (0.55) NPC1RAB9AKCNK3KCNK9MEN1
SCHEMBL2283004 0.79 BACE1 (0.64) NPC1RAB9AMEN1KMT2ABACE1
SCHEMBL2282997 0.79 BACE1 (0.64) NPC1RAB9AMEN1KMT2ABACE1
Formic Acid SCHEMBL2283640 0.78 BACE1 (0.57) NPC1TSHRBACE1TP53CTSD
SCHEMBL15510444 0.77 BACE1 (0.65) BACE1CTSD
SCHEMBL5226157 0.77 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KCNK3KCNK9
SCHEMBL2282323 0.77 BACE1 (0.56) BACE1CTSD
Formic Acid SCHEMBL2283961 0.76 BACE1 (0.52) NPC1SMN1; SMN2POLBBACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 — — EP disclosed
EP-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 — — EP disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 — — US disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 — — US disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 — — US disclosed
EP-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 — — EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — WO disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 — — US disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 — — US disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 — — 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-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES BACE2, BACE1, PSEN2 NPC1 1104/4885RAB9A 3788/4885SMN1; SMN2 222/4885

“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.