Sugi Predict

Sugi Predict / Compounds / SCHEMBL451983

SCHEMBL451983

SCHEMBL451983

Cc1cccc(S(=O)(=O)N(C)C(C)c2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TDO2 P48775 2/20 0.46
▸ IDO2 Q6ZQW0 2/20 0.46
▸ LMNA P02545 5/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CXCR3 P49682 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL448618 0.93 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL453803 0.93 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL454036 0.92 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL448729 0.91 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL454513 0.91 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL451604 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL448424 0.90 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL449873 0.89 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL449258 0.89 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2
SCHEMBL451938 0.89 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EMAPTTDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 — — US claimed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 — — US claimed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 — — EP claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 — — US claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 — — US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 — — US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 — — EP disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 — — US 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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885SMN1; SMN2 4873/4885KDM4E 3717/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 ALDH1A1 3161/4885SMN1; SMN2 4873/4885KDM4E 3717/4885

“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.