SCHEMBL3763906

SCHEMBL3763906

Nc1c(Cl)cc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
S1PR1 P21453 1/20 0.45
TP53 P04637 9/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL10182737 0.91 MAPT (0.49) MAPTS1PR1TP53NPC1RAB9A
SCHEMBL20405950 0.88 TP53 (0.42) MAPTTP53NPC1RAB9ACYP1A2
SCHEMBL3761084 0.88 NPC1 (0.54) MAPTS1PR1TP53NPC1RAB9A
SCHEMBL3756773 0.87 S1PR1 (0.48) MAPTS1PR1TP53NPC1RAB9A
SCHEMBL3760855 0.86 NPC1 (0.52) MAPTS1PR1TP53NPC1RAB9A
SCHEMBL3752994 0.86 S1PR1 (0.47) MAPTS1PR1TP53NPC1RAB9A
SCHEMBL3756824 0.84 S1PR1 (0.49) MAPTS1PR1TP53NPC1RAB9A
SCHEMBL3755430 0.84 NPC1 (0.50) MAPTS1PR1TP53NPC1RAB9A
SCHEMBL3757412 0.84 NPC1 (0.54) MAPTS1PR1TP53NPC1RAB9A
SCHEMBL3763529 0.83 TP53 (0.55) MAPTS1PR1TP53NPC1RAB9A

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 MAPT 2478/4885S1PR1 517/4885TP53 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.