SCHEMBL3755653

SCHEMBL3755653

Fc1ccccc1-n1nnc(-c2nc(-c3cccnc3)no2)c1C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.50
CHRNB2 P17787 2/20 0.44
CHRNA5 P30532 2/20 0.44
CHRNA4 P43681 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 5/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 3/20 0.42
POLB P06746 1/20 0.42
AHR P35869 1/20 0.40
GSK3B P49841 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
SCHEMBL10181575 0.90 MAPT (0.47) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL3758094 0.89 NPC1 (0.47) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL10179311 0.88 CHRNB2 (0.42) PPARACHRNB2CHRNA5CHRNA4SMN1; SMN2
SCHEMBL3755998 0.84 TP53 (0.55) SMN1; SMN2RAB9ANPC1TP53HPGD
SCHEMBL20406037 0.81 NPC1 (0.43) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL3753060 0.81 S1PR1 (0.49) PPARACHRNB2CHRNA5CHRNA4SMN1; SMN2
SCHEMBL3748532 0.80 TP53 (0.58) MAPTTP53
SCHEMBL3763721 0.80 TP53 (0.57) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL3763547 0.78 CHRNB2 (0.47) PPARACHRNB2CHRNA5CHRNA4SMN1; SMN2
SCHEMBL10179481 0.78 MAPT (0.45) SMN1; SMN2RAB9AALDH1A1NPC1MAPT

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 PPARA 2476/4885CHRNB2 2551/4885CHRNA5 1718/4885

“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.