SCHEMBL3752994

SCHEMBL3752994

Nc1cc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR3 Q99500 2/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 6/20 0.42
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3761084 0.89 NPC1 (0.54) S1PR1NPC1RAB9APKMKMT2A
SCHEMBL10181677 0.89 S1PR1 (0.49) S1PR1NPC1RAB9APKMKMT2A
SCHEMBL3750323 0.88 S1PR1 (0.45) S1PR1NPC1RAB9APKMKMT2A
SCHEMBL3756824 0.87 S1PR1 (0.49) S1PR1NPC1RAB9APKMKMT2A
SCHEMBL3760855 0.87 NPC1 (0.52) S1PR1NPC1RAB9APKMKMT2A
SCHEMBL3763529 0.86 TP53 (0.55) S1PR1NPC1RAB9APKMKMT2A
SCHEMBL3756773 0.86 S1PR1 (0.48) S1PR1NPC1RAB9APKMKMT2A
SCHEMBL3763906 0.86 MAPT (0.45) S1PR1NPC1RAB9APKMKMT2A
SCHEMBL3755430 0.85 NPC1 (0.50) S1PR1NPC1RAB9APKMKMT2A
SCHEMBL3757412 0.85 NPC1 (0.54) S1PR1NPC1RAB9APKMKMT2A

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
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 S1PR1 517/4885NPC1 4730/4885RAB9A 2114/4885

“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.