SCHEMBL3755472

SCHEMBL3755472

Fc1ccccc1-n1nnc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1-c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
S1PR1 P21453 6/20 0.50
MAPT P10636 2/20 0.48
S1PR3 Q99500 3/20 0.46
LMNA P02545 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
ALOX15 P16050 1/20 0.43
S1PR5 Q9H228 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CASP3 P42574 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 3/20 0.41

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
SCHEMBL3761171 0.94 MAPT (0.54) NPC1RAB9AS1PR1MAPTNR1H4
SCHEMBL10181508 0.93 S1PR1 (0.51) NPC1RAB9AS1PR1MAPTS1PR3
SCHEMBL3756298 0.91 NPC1 (0.47) NPC1RAB9AS1PR1MAPTS1PR3
SCHEMBL3763529 0.89 TP53 (0.55) NPC1RAB9AS1PR1MAPTLMNA
SCHEMBL3760855 0.87 NPC1 (0.52) NPC1RAB9AS1PR1MAPTS1PR3
SCHEMBL3761084 0.87 NPC1 (0.54) NPC1RAB9AS1PR1MAPTLMNA
SCHEMBL3760339 0.87 S1PR1 (0.51) NPC1RAB9AS1PR1MAPTLMNA
SCHEMBL3753246 0.87 NPC1 (0.54) NPC1RAB9AS1PR1MAPTS1PR3
SCHEMBL3752775 0.87 S1PR1 (0.54) NPC1RAB9AS1PR1MAPTLMNA
SCHEMBL3756824 0.85 S1PR1 (0.49) NPC1RAB9AS1PR1MAPTS1PR3

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 9 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
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 2114/4885S1PR1 517/4885

“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.