SCHEMBL3756002

SCHEMBL3756002

Cc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.81
MAPT P10636 5/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MEN1 O00255 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
KMT2A Q03164 2/20 0.46
RELA Q04206 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43

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
SCHEMBL3763181 0.91 TP53 (0.75) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9928667 0.90 TP53 (0.84) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3763165 0.89 TP53 (0.65) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3761351 0.88 MAPT (0.66) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3752697 0.85 TP53 (0.70) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10180302 0.85 TP53 (0.61) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3754671 0.83 TP53 (0.59) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3761396 0.82 TP53 (0.60) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3763721 0.81 TP53 (0.57) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3763278 0.81 TP53 (0.62) TP53MAPTNPC1RAB9ASMN1; SMN2

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 TP53 2220/4885MAPT 2478/4885NPC1 4730/4885

“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.