Sugi Predict

Sugi Predict / Compounds / SCHEMBL3178396

SCHEMBL3178396

SCHEMBL3178396

Cc1cc(C(C)(C)C)cc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.54
▸ NOS2 P35228 2/20 0.54
▸ NOS1 P29475 1/20 0.54
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTR1D P28221 2/20 0.38
▸ HSP90AA1 P07900 2/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ MITF O75030 1/20 0.35
▸ TP53 P04637 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
SCHEMBL24506835 0.85 GAA (0.50) NOS3NOS2NOS1POLBMAPT
SCHEMBL803405 0.83 POLB (0.46) NOS3NOS2NOS1POLBMAPT
SCHEMBL14842309 0.83 NOS2 (0.50) NOS3NOS2NOS1POLBMAPT
SCHEMBL29899418 0.80 NOS3 (0.52) NOS3NOS2NOS1HPGDHSP90AA1
SCHEMBL1972458 0.80 NOS3 (0.52) NOS3NOS2NOS1HPGDHSP90AA1
SCHEMBL23919952 0.77 KDM4E (0.44) POLBMAPTKDM4EGAAALDH1A1
SCHEMBL23691461 0.76 POLB (0.41) POLBMAPTKDM4EGAAALDH1A1
SCHEMBL24126364 0.76 KDM4E (0.42) NOS3NOS2NOS1POLBMAPT
SCHEMBL179483 0.76 GAA (0.42) NOS3NOS2NOS1POLBMAPT
SCHEMBL12257695 0.74 POLB (0.39) POLBMAPTKDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10687533-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-06-23 — — US disclosed
US-20190090486-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-03-28 — — US disclosed
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 — — EP disclosed
US-7666879-B2 Imidazo[1,2-A]pyridine compounds as VEGF-R2 inhibitors ELI LILLY AND COMPANY (US) 2010-02-23 — — US disclosed
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY 2009-09-10 — — US disclosed
EP-1904494-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2008-04-02 — — EP disclosed
WO-2006091671-A1 IMIDAZO (1, 2-A) PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2006-08-31 — — 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-10687533-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 NOS3 99/4885NOS2 274/4885NOS1 89/4885
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS KDR, FLT1, FLT4 NOS3 251/4885NOS2 138/4885NOS1 317/4885
US-20190090486-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES PRF1, NOX1, ARG1 NOS3 99/4885NOS2 274/4885NOS1 89/4885

“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.