SCHEMBL3760933

SCHEMBL3760933

COC(=O)c1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccccc3)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
MAOA P21397 1/20 0.48
BLVRB P30043 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAPT P10636 7/20 0.47
DHODH Q02127 1/20 0.45
S1PR1 P21453 1/20 0.44
TP53 P04637 5/20 0.42
POLB P06746 3/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3468631 0.91 MAPT (0.50) NPC1RAB9AMAPTTP53POLB
SCHEMBL3455957 0.89 NPC1 (0.50) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL3456402 0.89 NPC1 (0.48) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL3766906 0.83 MAPT (0.53) NPC1RAB9AMAPTS1PR1TP53
SCHEMBL3465830 0.83 MAOA (0.46) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL3755918 0.82 MAPT (0.46) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL3761171 0.80 MAPT (0.54) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL3759010 0.80 NPC1 (0.55) NPC1RAB9AMAPTS1PR1TP53
SCHEMBL20406019 0.79 MAPT (0.44) NPC1RAB9AMAOABLVRBHDAC6
SCHEMBL20405702 0.79 DHODH (0.44) NPC1RAB9ADHODHALDH1A1NPSR1

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 2114/4885MAOA 3074/4885

“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.