SCHEMBL10180302

SCHEMBL10180302

CC(C)c1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.61
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 5/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 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
SCHEMBL3757191 0.91 TP53 (0.64) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL13765379 0.86 TP53 (0.61) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL13765493 0.86 TP53 (0.58) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3756002 0.85 TP53 (0.81) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL27962925 0.82 TP53 (0.62) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3752697 0.82 TP53 (0.70) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3754671 0.81 TP53 (0.59) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3761396 0.79 TP53 (0.60) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3763721 0.79 TP53 (0.57) TP53NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3763278 0.78 TP53 (0.62) TP53NPC1RAB9ASMN1; SMN2GAA

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 TP53 2220/4885NPC1 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.