SCHEMBL3766906

SCHEMBL3766906

Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 2/20 0.51
MEN1 O00255 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 5/20 0.48
NR1H4 Q96RI1 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
S1PR1 P21453 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL3760855 0.94 NPC1 (0.52) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL20406006 0.92 MAPT (0.47) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3761084 0.92 NPC1 (0.54) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3754671 0.92 TP53 (0.59) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3755918 0.91 MAPT (0.46) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3755430 0.88 NPC1 (0.50) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL10181574 0.88 TP53 (0.47) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3761171 0.87 MAPT (0.54) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3468631 0.87 MAPT (0.50) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3457937 0.87 TP53 (0.62) MAPTNPC1RAB9AKMT2ASMN1; 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 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 2478/4885NPC1 4730/4885RAB9A 2114/4885

“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.