SCHEMBL1608376

SCHEMBL1608376

COc1cccc(-c2cc(-c3ccc(N)cc3)n[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.61
NPC1 O15118 8/20 0.61
MAPT P10636 6/20 0.61
MAPK1 P28482 2/20 0.61
ADORA3 P0DMS8 1/20 0.56
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
ALOX15 P16050 4/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CASP3 P42574 3/20 0.50
SENP8 Q96LD8 3/20 0.50
SENP7 Q9BQF6 3/20 0.50

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
SCHEMBL1181118 0.90 RAB9A (0.77) RAB9ANPC1MAPTMAPK1ADORA3
SCHEMBL1608353 0.88 MAPT (0.63) RAB9ANPC1MAPTMAPK1ADORA3
SCHEMBL17279905 0.87 MAPT (0.61) RAB9ANPC1MAPTMAPK1ADORA3
SCHEMBL15425050 0.86 NPC1 (0.64) RAB9ANPC1MAPTMAPK1ADORA3
SCHEMBL1608239 0.86 NPC1 (0.64) RAB9ANPC1MAPTMAPK1ADORA3
SCHEMBL1608422 0.85 RAB9A (0.84) RAB9ANPC1MAPTMAPK1ADORA3
SCHEMBL20382096 0.84 MAPT (0.63) RAB9ANPC1MAPTMAPK1ADORA3
SCHEMBL1181309 0.84 RAB9A (0.77) RAB9ANPC1MAPTMAPK1ADORA3
SCHEMBL22307585 0.84 RAB9A (0.81) RAB9ANPC1MAPTMAPK1ADORA3
SCHEMBL1250064 0.84 RAB9A (0.58) RAB9ANPC1MAPTMAPK1ADORA3

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-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US claimed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
WO-2009146343-A1 NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES MERCK & CO., INC. (US) 2009-12-03 WO 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-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles APP, PSEN1, BACE1 RAB9A 4026/4885NPC1 129/4885MAPT 7/4885

“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.