Sugi Predict

Sugi Predict / Compounds / SCHEMBL6495972

SCHEMBL6495972

SCHEMBL6495972

c1ccc2c(c1)cnn2ON1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ RECQL P46063 2/20 0.38
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ TSHR P16473 4/20 0.35
▸ POLB P06746 3/20 0.35
▸ KMO O15229 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CASP1 P29466 2/20 0.32
▸ CASP7 P55210 2/20 0.32
▸ MAPK1 P28482 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
SCHEMBL460613 0.83 RECQL (0.46) CYP1A2RECQLADRA2AADRA2BADRA2C
SCHEMBL15104445 0.77 RECQL (0.36) CYP1A2RECQLADRA2AADRA2BADRA2C
SCHEMBL5943489 0.74 RECQL (0.42) CYP1A2RECQLADRA2AADRA2BADRA2C
SCHEMBL1966858 0.72 RECQL (0.43) CYP1A2RECQLADRA2AADRA2BADRA2C
SCHEMBL30854464 0.72 RECQL (0.43) CYP1A2RECQLADRA2AADRA2BADRA2C
SCHEMBL30344902 0.71 POLB (0.48) CYP1A2RECQLHSD17B10TSHRPOLB
SCHEMBL63075 0.71 RECQL (0.42) CYP1A2RECQLADRA2AADRA2BADRA2C
SCHEMBL11012727 0.71 RECQL (0.42) CYP1A2RECQLADRA2AADRA2BADRA2C
SCHEMBL10500232 0.69 RECQL (0.41) CYP1A2RECQLADRA2AADRA2BADRA2C
SCHEMBL29521056 0.69 RECQL (0.41) CYP1A2RECQLADRA2AADRA2BADRA2C

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-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-03-24 — — US disclosed
US-6815456-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-11-09 — — US disclosed
EP-1385842-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-02-04 — — EP disclosed
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-04-10 — — US disclosed
WO-2002085892-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-10-31 — — 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 (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-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A CYP1A2 298/4885RECQL 3500/4885ADRA2A 164/4885
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A CYP1A2 310/4885RECQL 3599/4885ADRA2A 160/4885

“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.