SCHEMBL3763181

SCHEMBL3763181

Cc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1ccccc1Br

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.75
MAPT P10636 5/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.42
POLB P06746 2/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNN4 O15554 1/20 0.40

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
SCHEMBL3756002 0.91 TP53 (0.81) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL3466576 0.89 TP53 (0.73) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL9928667 0.81 TP53 (0.84) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL3763165 0.80 TP53 (0.65) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL3761351 0.79 MAPT (0.66) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL10180302 0.76 TP53 (0.61) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL3752697 0.76 TP53 (0.70) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3754671 0.75 TP53 (0.59) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3758834 0.74 TP53 (0.48) TP53MAPTRXFP1NPC1RAB9A
SCHEMBL3761396 0.74 TP53 (0.60) 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 2478/4885RXFP1 81/4885

“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.