SCHEMBL10180279

SCHEMBL10180279

COCCc1c(-c2nc(-c3ccncc3)no2)nnn1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 7/20 0.44
S1PR1 P21453 1/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
GAA P10253 1/20 0.41
POLB P06746 2/20 0.39
TTR P02766 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL10179953 0.90 RAB9A (0.47) RAB9ANPC1PKMKMT2ALMNA
SCHEMBL3766923 0.90 PPARA (0.44) RAB9ANPC1TP53S1PR1MAPT
SCHEMBL3755883 0.87 TP53 (0.58) RAB9ANPC1PKMKMT2ATP53
SCHEMBL13765636 0.87 TP53 (0.53) RAB9ANPC1PKMKMT2ALMNA
SCHEMBL3770756 0.83 TP53 (0.59) NPC1TP53S1PR1MAPT
SCHEMBL3763187 0.83 MAPT (0.49) RAB9ANPC1PKMKMT2ALMNA
SCHEMBL3761084 0.80 NPC1 (0.54) RAB9ANPC1PKMKMT2ALMNA
SCHEMBL3755950 0.80 MAPT (0.49) RAB9ANPC1PKMKMT2ATP53
SCHEMBL3760886 0.80 PPARA (0.45) RAB9ANPC1TP53S1PR1MAPT
SCHEMBL10179530 0.80 TP53 (0.54) RAB9ANPC1LMNATP53S1PR1

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 4 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-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

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 RAB9A 2114/4885NPC1 4730/4885PKM 4116/4885

“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.