Sugi Predict

Sugi Predict / Compounds / SCHEMBL3752775

SCHEMBL3752775

SCHEMBL3752775

Cc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.54
▸ RAB9A P51151 9/20 0.53
▸ NPC1 O15118 8/20 0.53
▸ TP53 P04637 9/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 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
SCHEMBL3763529 0.90 TP53 (0.55) S1PR1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL10181826 0.90 TP53 (0.48) S1PR1RAB9ANPC1TP53MAPT
SCHEMBL3760882 0.89 NPC1 (0.51) S1PR1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL3760855 0.89 NPC1 (0.52) S1PR1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL3761084 0.89 NPC1 (0.54) S1PR1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL10182717 0.89 S1PR1 (0.49) S1PR1RAB9ANPC1TP53MAPT
SCHEMBL3753246 0.89 NPC1 (0.54) S1PR1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL10181677 0.89 S1PR1 (0.49) S1PR1RAB9ANPC1TP53MAPT
SCHEMBL3760339 0.89 S1PR1 (0.51) S1PR1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL10181611 0.88 S1PR1 (0.51) S1PR1RAB9ANPC1TP53SMN1; 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 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 S1PR1 517/4885RAB9A 2114/4885NPC1 4730/4885

“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.