Sugi Predict

Sugi Predict / Compounds / SCHEMBL3757400

SCHEMBL3757400

SCHEMBL3757400

COCc1c(-c2nc(-c3ccc4[nH]ccc4c3)no2)nnn1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.44
▸ S1PR3 Q99500 1/20 0.44
▸ TP53 P04637 6/20 0.41
▸ MAPT P10636 4/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GRM1 Q13255 1/20 0.38
▸ GUSB P08236 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL3751133 0.87 MAOB (0.45) S1PR1TP53MAPTRXFP1ALDH1A1
SCHEMBL3763187 0.84 MAPT (0.49) S1PR1TP53MAPTRXFP1ALDH1A1
SCHEMBL3758520 0.83 TP53 (0.47) S1PR1S1PR3TP53MAPTALDH1A1
SCHEMBL10179530 0.83 TP53 (0.54) S1PR1TP53MAPTALDH1A1HSD17B10
SCHEMBL10180292 0.82 TP53 (0.54) TP53MAPTALDH1A1HSD17B10POLB
SCHEMBL10181578 0.82 MAPT (0.53) S1PR1S1PR3TP53MAPTRXFP1
SCHEMBL10179953 0.82 RAB9A (0.47) S1PR1TP53MAPTHSD17B10POLB
SCHEMBL3455783 0.81 TP53 (0.43) S1PR1S1PR3TP53MAPTRXFP1
SCHEMBL27829115 0.81 TP53 (0.45) S1PR1TP53MAPTRXFP1ALDH1A1
SCHEMBL3750522 0.81 S1PR1 (0.45) S1PR1S1PR3TP53MAPTRXFP1

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 517/4885S1PR3 279/4885TP53 2220/4885

“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.