SCHEMBL19100010

SCHEMBL19100010

CN1CC(=NOCc2ccccc2)C=N1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ USP8 P40818 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ IDO1 P14902 1/20 0.32

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
SCHEMBL212265 0.69 NPC1 (0.51) NPC1RAB9AHSD11B1TSHRMAPT
SCHEMBL2045918 0.65 NPC1 (0.59) NPC1RAB9AUSP8HSD11B1TSHR
SCHEMBL2045062 0.65 NPC1 (0.59) NPC1RAB9AUSP8HSD11B1TSHR
SCHEMBL2044477 0.63 TSHR (0.48) NPC1RAB9AUSP8TSHRMEN1
SCHEMBL10443116 0.63 NPC1 (0.35) NPC1RAB9AUSP8TSHRPKM
SCHEMBL2050061 0.63 RAB9A (0.47) NPC1RAB9AUSP8TSHRPKM
SCHEMBL19712360 0.63 NPC1 (0.56) NPC1RAB9AUSP8HSD11B1TSHR
SCHEMBL7373187 0.63 RAB9A (0.56) NPC1RAB9AUSP8HSD11B1TSHR
SCHEMBL2050063 0.63 RAB9A (0.47) NPC1RAB9AUSP8TSHRPKM
SCHEMBL20237058 0.62 NPC1 (0.48) NPC1RAB9AHSD11B1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 — — US disclosed
US-11259524-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2022-03-01 — — US disclosed
US-20210037826-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-02-11 — — US disclosed
EP-3400223-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES Syngenta Participations AG (CH) 2018-11-14 — — EP disclosed
WO-2017118689-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-07-13 — — 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 (3 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-20210037826-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 NPC1 1320/4885RAB9A 2638/4885USP8 3719/4885
US-11259524-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 NPC1 1320/4885RAB9A 2638/4885USP8 3719/4885
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES CYP51A1, MPO, NOX5 NPC1 2556/4885RAB9A 3264/4885USP8 2896/4885

“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.

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