Sugi Predict

Sugi Predict / Compounds / SCHEMBL3757116

SCHEMBL3757116

SCHEMBL3757116

OCc1cccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.49
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ TP53 P04637 6/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ BRAF P15056 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ BLVRB P30043 1/20 0.37

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
SCHEMBL10179798 0.91 S1PR1 (0.49) S1PR1NPC1RAB9ALMNAPKM
SCHEMBL10181611 0.91 S1PR1 (0.51) S1PR1NPC1RAB9ALMNAPKM
Hydrochloric Acid SCHEMBL3456569 0.90 S1PR1 (0.49) S1PR1NPC1RAB9ALMNAPKM
SCHEMBL3758945 0.90 NPC1 (0.46) S1PR1NPC1RAB9ALMNAPKM
SCHEMBL20405711 0.89 TP53 (0.39) S1PR1NPC1RAB9ADHODHPRKCI
SCHEMBL10179942 0.89 S1PR1 (0.45) S1PR1NPC1RAB9ALMNAPKM
SCHEMBL10181580 0.89 S1PR1 (0.47) S1PR1NPC1RAB9ALMNAPKM
SCHEMBL10179080 0.89 S1PR1 (0.49) S1PR1NPC1RAB9ALMNAPKM
SCHEMBL3461324 0.89 S1PR1 (0.49) S1PR1NPC1RAB9ALMNAPKM
SCHEMBL3760339 0.88 S1PR1 (0.51) S1PR1NPC1RAB9ALMNAPKM

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 517/4885NPC1 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.