SCHEMBL3753002

SCHEMBL3753002

CCc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
TP53 P04637 6/20 0.55
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
POLB P06746 2/20 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
SCHEMBL13765636 0.92 TP53 (0.53) MAPTTP53NPC1RAB9ANFKB1
SCHEMBL3755950 0.89 MAPT (0.49) MAPTTP53NPC1RAB9ANFKB1
SCHEMBL3752697 0.89 TP53 (0.70) MAPTTP53NPC1RAB9ANFKB1
SCHEMBL3763187 0.88 MAPT (0.49) MAPTTP53NPC1RAB9ANFKB1
SCHEMBL3752826 0.87 MAPT (0.52) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3761351 0.85 MAPT (0.66) MAPTTP53NPC1RAB9ANFKB1
SCHEMBL3753630 0.84 TP53 (0.58) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL3751123 0.84 TP53 (0.64) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL10181578 0.84 MAPT (0.53) MAPTTP53NPC1RAB9ANFKB1
SCHEMBL3766906 0.83 MAPT (0.53) MAPTTP53NPC1RAB9ANFKB1

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 2220/4885NPC1 4730/4885

“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.