SCHEMBL3763547

SCHEMBL3763547

Fc1ccccc1-n1nnc(-c2nc(-c3cccnc3)no2)c1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA5 P30532 2/20 0.47
CHRNA4 P43681 2/20 0.47
MAPT P10636 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.45
PPARA Q07869 2/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL3760886 0.86 PPARA (0.45) CHRNB2CHRNA5CHRNA4MAPTNPC1
SCHEMBL3766923 0.84 PPARA (0.44) CHRNB2CHRNA5CHRNA4MAPTNPC1
SCHEMBL3758943 0.84 TP53 (0.59) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL3753060 0.81 S1PR1 (0.49) CHRNB2CHRNA5CHRNA4MAPTNPC1
SCHEMBL3753002 0.79 MAPT (0.55) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL3755653 0.78 PPARA (0.50) CHRNB2CHRNA5CHRNA4MAPTNPC1
SCHEMBL3766405 0.77 TP53 (0.53) CHRNB2CHRNA5CHRNA4MAPTNPC1
SCHEMBL3763187 0.77 MAPT (0.49) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL13765636 0.77 TP53 (0.53) MAPTNPC1RAB9AALDH1A1TP53
SCHEMBL3755950 0.76 MAPT (0.49) MAPTNPC1RAB9AALDH1A1TP53

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 CHRNB2 2551/4885CHRNA5 1718/4885CHRNA4 1725/4885

“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.