Sugi Predict

Sugi Predict / Compounds / SCHEMBL3754671

SCHEMBL3754671

SCHEMBL3754671

Fc1ccccc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.59
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ S1PR1 P21453 4/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3751170 0.92 TP53 (0.56) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3766906 0.92 MAPT (0.53) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3756805 0.90 TP53 (0.59) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3457937 0.90 TP53 (0.62) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3766280 0.89 TP53 (0.57) TP53NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3766405 0.89 TP53 (0.53) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3760700 0.88 TP53 (0.50) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL20405745 0.88 TP53 (0.50) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3469525 0.87 TP53 (0.48) TP53NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3760855 0.86 NPC1 (0.52) TP53NPC1RAB9ASMN1; SMN2KMT2A

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 TP53 2220/4885NPC1 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.