Sugi Predict

Sugi Predict / Compounds / SCHEMBL3766923

SCHEMBL3766923

SCHEMBL3766923

COCCc1c(-c2nc(-c3cccnc3)no2)nnn1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.44
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ MAPT P10636 6/20 0.43
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNA5 P30532 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ TP53 P04637 6/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ AHR P35869 1/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 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 0.91 PPARA (0.45) PPARANPC1RAB9AMAPTCHRNB2
SCHEMBL10180279 0.90 RAB9A (0.46) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL3755883 0.85 TP53 (0.58) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL3763547 0.84 CHRNB2 (0.47) PPARANPC1RAB9AMAPTCHRNB2
SCHEMBL3770756 0.81 TP53 (0.59) NPC1MAPTTP53HTTS1PR1
SCHEMBL3763187 0.81 MAPT (0.49) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL10179953 0.80 RAB9A (0.47) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL3753060 0.79 S1PR1 (0.49) PPARANPC1RAB9AMAPTCHRNB2
SCHEMBL10181616 0.79 TP53 (0.45) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL3755950 0.78 MAPT (0.49) NPC1RAB9AMAPTTP53SMN1; 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 11 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
CN-101918395-B Triazole oxadiazole derivatives MERCK SERONO SA 2014-04-16 — — CN 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
CN-101918395-A Triazole oxadiazole derivatives MERCK SERONO SA 2010-12-15 — — CN 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 2476/4885NPC1 4730/4885RAB9A 2114/4885

“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.