SCHEMBL3755918

SCHEMBL3755918

O=C(O)c1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MAOA P21397 1/20 0.46
BLVRB P30043 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TP53 P04637 4/20 0.45
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
RARA P10276 1/20 0.40

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
SCHEMBL3766906 0.91 MAPT (0.53) MAPTNPC1RAB9ATP53MEN1
SCHEMBL20406006 0.91 MAPT (0.47) MAPTNPC1RAB9ATP53MEN1
SCHEMBL3468631 0.89 MAPT (0.50) MAPTNPC1RAB9ATP53MEN1
SCHEMBL3465830 0.89 MAOA (0.46) MAPTMAOABLVRBHDAC6NPC1
SCHEMBL3469525 0.88 TP53 (0.48) MAPTMAOABLVRBHDAC6NPC1
SCHEMBL3760855 0.86 NPC1 (0.52) MAPTNPC1RAB9ATP53MEN1
SCHEMBL10181815 0.85 S1PR1 (0.47) MAPTNPC1RAB9ATP53MEN1
SCHEMBL3760718 0.85 NPC1 (0.53) MAPTNPC1RAB9ATP53PKM
SCHEMBL3761084 0.84 NPC1 (0.54) MAPTNPC1RAB9ATP53MEN1
SCHEMBL3754671 0.84 TP53 (0.59) MAPTMAOABLVRBHDAC6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 MAPT 2478/4885MAOA 3074/4885BLVRB 3218/4885

“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.