Sugi Predict

Sugi Predict / Compounds / SCHEMBL6588366

SCHEMBL6588366

SCHEMBL6588366

COc1cc(O)ccc1-c1cccc(-n2c(C)ccc2C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ GAA P10253 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TP53 P04637 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CYP1A1 P04798 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38

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
SCHEMBL6620007 0.86 ACHE (0.42) GAAPOLBMEN1KMT2AMAPT
SCHEMBL8090303 0.83 MEN1 (0.47) ESR1ESR2GAAPOLBMEN1
SCHEMBL8474944 0.80 NOS1 (0.39) GAAPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL5775067 0.79 NOS1 (0.45) GAAPOLBMEN1KMT2AMAPT
SCHEMBL6583717 0.79 ANPEP (0.42) ESR1ESR2GAAPOLBMEN1
SCHEMBL6581790 0.79 MAOB (0.44) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL4286592 0.77 PTGER1 (0.41) SMN1; SMN2ALDH1A1RAB9ACYP2C9MAOB
SCHEMBL6583287 0.77 PDE2A (0.35) GAAPOLBMEN1KMT2ARAB9A
SCHEMBL6583984 0.76 NOS1 (0.54) ESR1ESR2GAAPOLBMEN1
SCHEMBL8275704 0.76 ALDH1A1 (0.42) GAAPOLBMAPTALDH1A1RAB9A

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
EP-0958282-B1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PROD INC (US) 2004-07-21 — — EP disclosed
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders PFIZER INC. 2003-08-28 — — US disclosed
US-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... PFIZER INC. 2001-07-12 — — US disclosed
EP-0958282-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES Pfizer Products Inc. (US) 1999-11-24 — — EP disclosed
WO-1998034919-A1 2-AMINO-6-(2-SUBSTITUTED-4-PHENOXY)-SUBSTITUTED-PYRIDINES PFIZER PRODUCTS INC. (US) 1998-08-13 — — 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 (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-20010007873-A1 Compounds such as 4-(6-amino-pyridin-2-yl)-3-methoxyphenol as nitric oxide synthase inhibitors used to treat central nervous system disorders, inflammatory disorders, septic shock, etc... NOS1, PTGS1, NOS2 ESR1 1823/4885ESR2 1113/4885GAA 2780/4885
US-20030162765-A1 Use in treatment and prevention of central nervous system and other disorders GRIN2C, GRIN2A, CNR2 ESR1 2452/4885ESR2 661/4885GAA 884/4885

“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.