SCHEMBL10180292

SCHEMBL10180292

COCc1c(-c2nc(-c3cccc(OC)c3)no2)nnn1-c1ccccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.54
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 8/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTR6 P50406 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 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
SCHEMBL10179530 0.90 TP53 (0.54) TP53NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL3763187 0.89 MAPT (0.49) TP53NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL3748432 0.86 S1PR1 (0.55) TP53NPC1RAB9AMAPTKMT2A
SCHEMBL3753146 0.85 CA9 (0.50) TP53NPC1RAB9AMAPTCA2
SCHEMBL10179953 0.85 RAB9A (0.47) TP53NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL10181600 0.84 S1PR1 (0.48) TP53NPC1RAB9AMAPTHSD17B10
SCHEMBL3760886 0.84 PPARA (0.45) TP53NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL3455783 0.84 TP53 (0.43) TP53NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL27829115 0.84 TP53 (0.45) TP53NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL3761396 0.83 TP53 (0.60) TP53NPC1RAB9ASMN1; SMN2NFKB1

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.