Sugi Predict

Sugi Predict / Compounds / SCHEMBL3758471

SCHEMBL3758471

SCHEMBL3758471

COCc1c(-c2nc(-c3ccc(Cn4ccnc4)cc3)no2)nnn1-c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.39
▸ CYP11B1 P15538 5/20 0.39
▸ CYP11B2 P19099 4/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ TP53 P04637 6/20 0.39
▸ MAPT P10636 6/20 0.39
▸ CYP19A1 P11511 6/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TBXAS1 P24557 1/20 0.35
▸ QPCT Q16769 1/20 0.35

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
SCHEMBL10182852 0.91 TP53 (0.42) S1PR1TP53MAPTRXFP1NPC1
SCHEMBL3756827 0.86 TP53 (0.41) S1PR1TP53MAPTRXFP1NPC1
SCHEMBL3766224 0.85 MAOA (0.43) S1PR1TP53MAPTCYP19A1RXFP1
SCHEMBL10181578 0.85 MAPT (0.53) S1PR1TP53MAPTRXFP1NPC1
SCHEMBL10179953 0.85 RAB9A (0.47) S1PR1TP53MAPTNPC1NFKB1
SCHEMBL3455783 0.84 TP53 (0.43) S1PR1TP53MAPTRXFP1NPC1
SCHEMBL3756218 0.84 S1PR1 (0.50) S1PR1CYP11B1CYP11B2CYP17A1TP53
SCHEMBL3763187 0.84 MAPT (0.49) S1PR1TP53MAPTRXFP1NPC1
SCHEMBL10179530 0.82 TP53 (0.54) S1PR1TP53MAPTNPC1NFKB1
SCHEMBL13765504 0.82 TP53 (0.38) S1PR1TP53MAPTRXFP1NPC1

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 10 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
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 517/4885CYP11B1 425/4885CYP11B2 429/4885

“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.