SCHEMBL4983010

SCHEMBL4983010

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
GPR35 Q9HC97 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
NQO1 P15559 1/20 0.33
DHODH Q02127 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CAPN1 P07384 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GPR17 Q13304 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRNP P04156 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL4992715 0.85 ALDH1A1 (0.39) CSNK2A2CSNK2BCSNK2A1CSNK2A3GPR35
SCHEMBL4982792 0.84 SIRT2 (0.47) CSNK2A2CSNK2BCSNK2A1CSNK2A3GPR35
SCHEMBL4985293 0.83 ALDH1A1 (0.42) CSNK2A2CSNK2BCSNK2A1CSNK2A3GPR35
SCHEMBL12466541 0.79 PTGDR2 (0.47) ALDH1A1HPGDPTGDR2DHODHESR1
SCHEMBL4994482 0.78 MCL1 (0.42) CSNK2A2CSNK2BCSNK2A1CSNK2A3GPR35
SCHEMBL4990432 0.77 HTR1B (0.46) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL27602177 0.69 GPR35 (0.56) CSNK2A2CSNK2BCSNK2A1CSNK2A3GPR35
SCHEMBL12466132 0.68 RAB9A (0.49) ALDH1A1HPGDPTGDR2NQO1DHODH
SCHEMBL4982829 0.67 ALDH1A1 (0.46) GPR35ALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL23887286 0.67

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-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE 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 CSNK2A2 3374/4885CSNK2B 3066/4885CSNK2A1 3148/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A CSNK2A2 2283/4885CSNK2B 1848/4885CSNK2A1 2097/4885
US-20050085457-A1 Therapeutic quinolone compounds with 5-ht-antagonistic properties HTR1B, HTR1A, HTR1D CSNK2A2 3238/4885CSNK2B 2637/4885CSNK2A1 2955/4885
US-20050009818-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A CSNK2A2 3097/4885CSNK2B 2604/4885CSNK2A1 2906/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A CSNK2A2 3097/4885CSNK2B 2604/4885CSNK2A1 2906/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B CSNK2A2 3562/4885CSNK2B 3283/4885CSNK2A1 3201/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B CSNK2A2 3810/4885CSNK2B 3521/4885CSNK2A1 3551/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A CSNK2A2 749/4885CSNK2B 479/4885CSNK2A1 572/4885
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 CSNK2A2 3176/4885CSNK2B 2671/4885CSNK2A1 2895/4885

“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.