SCHEMBL3755950

SCHEMBL3755950

CCCCc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
TP53 P04637 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
NFKB1 P19838 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 1/20 0.40
BCHE P06276 1/20 0.39

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
SCHEMBL3763278 0.90 TP53 (0.62) MAPTTP53SMN1; SMN2NPC1NFKB1
SCHEMBL3753002 0.89 MAPT (0.55) MAPTTP53SMN1; SMN2NPC1NFKB1
SCHEMBL3763187 0.84 MAPT (0.49) MAPTTP53SMN1; SMN2NPC1NFKB1
SCHEMBL13765636 0.82 TP53 (0.53) MAPTTP53SMN1; SMN2NPC1NFKB1
SCHEMBL3761351 0.81 MAPT (0.66) MAPTTP53SMN1; SMN2NPC1NFKB1
SCHEMBL10180279 0.80 RAB9A (0.46) MAPTTP53SMN1; SMN2NPC1NFKB1
SCHEMBL3766906 0.80 MAPT (0.53) MAPTTP53SMN1; SMN2NPC1NFKB1
SCHEMBL3752697 0.78 TP53 (0.70) MAPTTP53SMN1; SMN2NPC1NFKB1
SCHEMBL10181578 0.78 MAPT (0.53) MAPTTP53SMN1; SMN2NPC1NFKB1
SCHEMBL3766923 0.78 PPARA (0.44) MAPTTP53SMN1; SMN2NPC1NFKB1

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 2478/4885TP53 2220/4885SMN1; SMN2 1889/4885

“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.