SCHEMBL3756891

SCHEMBL3756891

COc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.59
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 7/20 0.54
GAA P10253 1/20 0.54
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR1 P21453 2/20 0.45
KCNN4 O15554 1/20 0.45
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 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
SCHEMBL3755894 0.94 TP53 (0.52) TP53RAB9ASMN1; SMN2NPC1GAA
SCHEMBL3766280 0.93 TP53 (0.57) TP53RAB9ASMN1; SMN2NPC1POLB
SCHEMBL3751170 0.90 TP53 (0.56) TP53RAB9ASMN1; SMN2NPC1GAA
SCHEMBL3766956 0.88 TP53 (0.58) TP53RAB9ASMN1; SMN2NPC1GAA
SCHEMBL3755960 0.87 TP53 (0.48) TP53RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL3761084 0.87 NPC1 (0.54) TP53RAB9ASMN1; SMN2NPC1POLB
SCHEMBL3478080 0.86 NPC1 (0.54) TP53RAB9ASMN1; SMN2NPC1GAA
SCHEMBL3755967 0.86 TP53 (0.54) TP53RAB9ASMN1; SMN2NPC1GAA
SCHEMBL10181823 0.86 TP53 (0.50) TP53RAB9ASMN1; SMN2NPC1GAA
SCHEMBL3757178 0.85 TP53 (0.59) TP53RAB9ASMN1; SMN2NPC1PKM

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 10 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
CN-101918395-B Triazole oxadiazole derivatives MERCK SERONO SA 2014-04-16 CN 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
CN-101918395-A Triazole oxadiazole derivatives MERCK SERONO SA 2010-12-15 CN 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
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 TP53 2220/4885RAB9A 2114/4885SMN1; SMN2 1889/4885

“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.