SCHEMBL4982792

SCHEMBL4982792

CCc1c(C(=O)O)oc2c(Br)cc(Cl)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.47
MAOB P27338 2/20 0.40
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
CSNK2A1 P68400 2/20 0.40
CSNK2A3 Q8NEV1 2/20 0.40
MCL1 Q07820 3/20 0.40
MAOA P21397 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GPR35 Q9HC97 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
F12 P00748 2/20 0.34
TTR P02766 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
NQO1 P15559 1/20 0.33

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
SCHEMBL4992715 0.85 ALDH1A1 (0.39) SIRT2MAOBCSNK2A2CSNK2BCSNK2A1
SCHEMBL4983010 0.84 CSNK2A2 (0.38) SIRT2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL4985293 0.83 ALDH1A1 (0.42) MAOBCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL4994482 0.78 MCL1 (0.42) CSNK2A2CSNK2BCSNK2A1CSNK2A3MCL1
SCHEMBL4985617 0.77 CDK2 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3L3MBTL1
SCHEMBL11321162 0.76 CSNK2A2 (0.50) CSNK2A2CSNK2BCSNK2A1CSNK2A3MCL1
SCHEMBL11325784 0.74 MCL1 (0.39) CSNK2A2CSNK2BCSNK2A1CSNK2A3MCL1
SCHEMBL29853317 0.71 SIRT2 (0.46) SIRT2MAOBMCL1MAOAL3MBTL1
SCHEMBL11421772 0.71 MCL1 (0.40) MCL1L3MBTL1ALDH1A1HPGDTTR
SCHEMBL4982829 0.69 ALDH1A1 (0.46) MAOAL3MBTL1GPR35ALDH1A1HPGD

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20060178372-A1 Therapeutic quinoline compounds ASTRAZENECA AB (SE) 2006-08-10 US disclosed
US-7045514-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-7026314-B2 Psychological disorders, antidepressants, anxiolytic agents, eating disorders; serotonin receptors antagonist ASTRAZENECA AB (SE) 2006-04-11 US disclosed
US-20060019947-A1 Therapeutic chromone compounds CHAPDELAINE MARC 2006-01-26 US disclosed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US disclosed
US-20050096312-A1 Antiserotonine agents; antidepressants; eating disorders; anxiolytic agents; sleep disorders; gastrointestinal disorders; cardiovascular disorders; muscular disorders; endocrine system diseases; muscular disorders; psychological disorders ASTRAZENECA AB (SE) 2005-05-05 US disclosed
US-20050085457-A1 Therapeutic quinolone compounds with 5-ht-antagonistic properties ASTRAZENECA AB (SE) 2005-04-21 US disclosed
US-20050009818-A1 Therapeutic heterocyclic compounds PIERSON EDWARD (US) 2005-01-13 US disclosed
US-20040082591-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2004-04-29 US disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 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 (9 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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 HTR1A, HTR1B, HTR1D SIRT2 2901/4885MAOB 27/4885CSNK2A2 3374/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A SIRT2 2036/4885MAOB 37/4885CSNK2A2 2283/4885
US-20050085457-A1 Therapeutic quinolone compounds with 5-ht-antagonistic properties HTR1B, HTR1A, HTR1D SIRT2 2646/4885MAOB 45/4885CSNK2A2 3238/4885
US-20050009818-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A SIRT2 2461/4885MAOB 21/4885CSNK2A2 3097/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A SIRT2 2461/4885MAOB 21/4885CSNK2A2 3097/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B SIRT2 3057/4885MAOB 27/4885CSNK2A2 3562/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B SIRT2 3016/4885MAOB 25/4885CSNK2A2 3810/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A SIRT2 3293/4885MAOB 15/4885CSNK2A2 749/4885
US-20050096312-A1 Antiserotonine agents; antidepressants; eating disorders; anxiolytic agents; sleep disorders; gastrointestinal disorders; cardiovascular disorders; muscular disorders; endocrine system diseases; muscular disorders; psychological disorders HTR1D, HTR1B, HTR1A SIRT2 3873/4885MAOB 80/4885CSNK2A2 3176/4885

“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.