Sugi Predict

Sugi Predict / Compounds / SCHEMBL6074423

SCHEMBL6074423

SCHEMBL6074423

NC[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)no1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.41
▸ MME P08473 1/20 0.40
▸ KMO O15229 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ IDH1 O75874 2/20 0.37
▸ AHR P35869 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13197122 0.76 NPC1 (0.44) NOTUMKMONPC1RAB9APOLB
Phenylethanolamine SCHEMBL21723498 0.73 BLM (0.57) POLBLMNAMAPTL3MBTL1MAPK1
Phenylethanolamine SCHEMBL7150657 0.73 BLM (0.57) POLBLMNAMAPTL3MBTL1MAPK1
Phenylethanolamine SCHEMBL296410 0.73 BLM (0.57) POLBLMNAMAPTL3MBTL1MAPK1
Phenylethanolamine SCHEMBL25831761 0.73 BLM (0.57) POLBLMNAMAPTL3MBTL1MAPK1
SCHEMBL16826415 0.73 KMO (0.50) NOTUMKMONPC1RAB9APOLB
Phenylethanolamine SCHEMBL5888034 0.72 BLM (0.55) POLBLMNAMAPTL3MBTL1MAPK1
SCHEMBL11612160 0.70 NOTUM (0.50) NOTUMKMONPC1RAB9APOLB
SCHEMBL3820935 0.70 MME (0.47) NOTUMMMEKMONPC1RAB9A
SCHEMBL13692212 0.69 AHR (0.46) NOTUMKMONPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022716-B2 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH (US) 2006-04-04 — — US disclosed
US-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2003-07-31 — — US disclosed
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 — — EP disclosed
US-6525202-B2 E.g., substituted (4-amino-5-hydroxyphenyl)-oxy-)piperidinyl thiazolidin-2,4-dione; antidiabetic agents; atherosclerosis, gastrointestinal, metabolic disorders, glaucoma, neurogenetic inflammation, ocular hypertension and frequent urination WYETH 2003-02-25 — — US disclosed
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists WYETH 2002-03-07 — — US disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 — — 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 (2 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-20030144326-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 NOTUM 4001/4885MME 1427/4885KMO 1174/4885
US-20020028835-A1 Cyclic amine phenyl beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 NOTUM 4001/4885MME 1427/4885KMO 1174/4885

“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.