SCHEMBL6204345

SCHEMBL6204345

Nc1ccc2c(c1)NCCS2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
GAA P10253 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
APAF1 O14727 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RYR2 Q92736 3/20 0.37
CA9 Q16790 1/20 0.33
KCNH2 Q12809 1/20 0.33
IDO1 P14902 1/20 0.30

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
SCHEMBL22232989 0.86 MEN1 (0.55) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL8038619 0.77 MEN1 (0.53) MEN1GAAKMT2AALDH1A1RYR2
SCHEMBL1816443 0.77 MEN1 (0.53) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL616341 0.77 MEN1 (0.53) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL10226479 0.77 GAA (0.53) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL22258218 0.76 MEN1 (0.43) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL2363066 0.75 ALDH1A1 (0.47) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL4758944 0.74 CA1 (0.49) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL12692912 0.73 ALDH1A1 (0.49) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL3070838 0.73 MEN1 (0.49) MEN1GAAKMT2AALDH1A1RYR2

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-20050107372-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators LANTER JAMES C (US) 2005-05-19 US disclosed
US-6858621-B2 2-(quinolonyl)-fused heterocycles as androgen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-22 US disclosed
EP-1501835-A2 2-(QUINOLONYL)-FUSED HETEROCYCLES AS ANDROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-02-02 EP disclosed
US-20040014743-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-01-22 US disclosed
WO-2003090672-A2 2-(QUINOLONYL)-FUSED HETEROCYCLES AS ANDROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-11-06 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-20040014743-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators AR, NR5A1, ESRRA MEN1 2365/4885GAA 3667/4885KMT2A 2048/4885
US-20050107372-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators AR, NR5A1, CYP19A1 MEN1 2058/4885GAA 4041/4885KMT2A 1073/4885

“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.