SCHEMBL10181574

SCHEMBL10181574

Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.47
PKM P14618 7/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 6/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
KLF5 Q13887 1/20 0.45
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3764576 0.94 RAB9A (0.49) TP53PKMRAB9ASMN1; SMN2NPC1
SCHEMBL3762743 0.89 TP53 (0.55) TP53PKMRAB9ASMN1; SMN2NPC1
SCHEMBL3478260 0.89 NPC1 (0.53) TP53PKMRAB9ASMN1; SMN2NPC1
SCHEMBL3766906 0.88 MAPT (0.53) TP53PKMRAB9ASMN1; SMN2NPC1
SCHEMBL3761562 0.87 NPC1 (0.56) TP53PKMRAB9ASMN1; SMN2NPC1
SCHEMBL20405846 0.85 TP53 (0.42) TP53PKMRAB9ASMN1; SMN2NPC1
SCHEMBL3762524 0.85 S1PR1 (0.59) TP53PKMRAB9ASMN1; SMN2NPC1
SCHEMBL3763939 0.85 TP53 (0.55) TP53PKMRAB9ASMN1; SMN2NPC1
SCHEMBL3764714 0.85 TP53 (0.58) TP53MAPTGRM5
SCHEMBL3760855 0.85 NPC1 (0.52) TP53PKMRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TP53 2220/4885PKM 4116/4885RAB9A 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.