Sugi Predict

Sugi Predict / Compounds / SCHEMBL3756893

SCHEMBL3756893

SCHEMBL3756893

Oc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.48
▸ RAB9A P51151 8/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ PKM P14618 2/20 0.48
▸ LMNA P02545 1/20 0.47
▸ S1PR1 P21453 1/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TP53 P04637 4/20 0.42
▸ POLB P06746 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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 0.94 NPC1 (0.54) NPC1RAB9AKMT2APKMLMNA
SCHEMBL3755430 0.92 NPC1 (0.50) NPC1RAB9AKMT2APKMLMNA
SCHEMBL3760855 0.92 NPC1 (0.52) NPC1RAB9AKMT2APKMLMNA
SCHEMBL3760882 0.90 NPC1 (0.51) NPC1RAB9AKMT2APKMLMNA
SCHEMBL27962957 0.90 NPC1 (0.48) NPC1RAB9AKMT2APKMLMNA
SCHEMBL3760339 0.89 S1PR1 (0.51) NPC1RAB9AKMT2APKMLMNA
SCHEMBL3758945 0.89 NPC1 (0.46) NPC1RAB9AKMT2APKMLMNA
SCHEMBL3756298 0.89 NPC1 (0.47) NPC1RAB9AKMT2APKMLMNA
SCHEMBL10181815 0.88 S1PR1 (0.47) NPC1RAB9AKMT2APKMLMNA
SCHEMBL3760718 0.88 NPC1 (0.53) NPC1RAB9AKMT2APKMLMNA

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 2114/4885KMT2A 2565/4885

“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.