SCHEMBL1608353

SCHEMBL1608353

COc1cccc(-c2cc(-c3cccc(OC)c3)[nH]n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.63
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
MAPK1 P28482 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
PLK1 P53350 1/20 0.59
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
TP53 P04637 3/20 0.56
ALOX15 P16050 3/20 0.56
HPGD P15428 2/20 0.56
ALOX12 P18054 2/20 0.56
USP2 O75604 1/20 0.56
HSP90AA1 P07900 1/20 0.56
TSHR P16473 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56

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
SCHEMBL17279905 0.98 MAPT (0.61) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL8886596 0.94 MAPT (0.64) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL20382096 0.93 MAPT (0.63) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL1181309 0.92 RAB9A (0.77) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL1181118 0.92 RAB9A (0.77) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL15425049 0.91 MAPT (0.54) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL1608395 0.89 MAPT (0.55) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL15425050 0.88 NPC1 (0.64) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL1608239 0.88 NPC1 (0.64) MAPTRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL1608376 0.88 RAB9A (0.61) MAPTRAB9ANPC1MAPK1SMN1; SMN2

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 4 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

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 MAPT 7/4885RAB9A 4026/4885NPC1 129/4885

“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.