SCHEMBL3760855

SCHEMBL3760855

Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
PKM P14618 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 7/20 0.51
LMNA P02545 1/20 0.51
S1PR1 P21453 2/20 0.50
MAPT P10636 4/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 4/20 0.45
POLB P06746 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
SCHEMBL3761084 0.98 NPC1 (0.54) NPC1RAB9APKMKMT2ASMN1; SMN2
SCHEMBL3766906 0.94 MAPT (0.53) NPC1RAB9APKMKMT2ASMN1; SMN2
SCHEMBL3755430 0.94 NPC1 (0.50) NPC1RAB9APKMKMT2ASMN1; SMN2
SCHEMBL3760882 0.92 NPC1 (0.51) NPC1RAB9APKMKMT2ASMN1; SMN2
SCHEMBL27847580 0.92 NPC1 (0.48) NPC1RAB9APKMKMT2ASMN1; SMN2
SCHEMBL3753060 0.92 S1PR1 (0.49) NPC1RAB9APKMKMT2ASMN1; SMN2
SCHEMBL3756893 0.92 NPC1 (0.48) NPC1RAB9APKMKMT2ASMN1; SMN2
SCHEMBL27962957 0.92 NPC1 (0.48) NPC1RAB9APKMKMT2ASMN1; SMN2
SCHEMBL3757412 0.91 NPC1 (0.54) NPC1RAB9APKMKMT2ASMN1; SMN2
SCHEMBL3756298 0.91 NPC1 (0.47) NPC1RAB9APKMKMT2ASMN1; 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 NPC1 4730/4885RAB9A 2114/4885PKM 4116/4885

“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.