SCHEMBL3478080

SCHEMBL3478080

COc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
TP53 P04637 7/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
S1PR1 P21453 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
EGFR P00533 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL3761084 0.91 NPC1 (0.54) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL3759010 0.90 NPC1 (0.55) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL3760882 0.89 NPC1 (0.51) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL3755430 0.89 NPC1 (0.50) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL3760855 0.89 NPC1 (0.52) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL27962957 0.87 NPC1 (0.48) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL3756893 0.87 NPC1 (0.48) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL3760552 0.87 S1PR1 (0.45) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL3478260 0.87 NPC1 (0.53) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL3756891 0.86 TP53 (0.59) NPC1RAB9ATP53MAPTSMN1; SMN2

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 11 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
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 WO 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 NPC1 4730/4885RAB9A 2114/4885TP53 2220/4885

“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.