SCHEMBL4987172

SCHEMBL4987172

COC(=O)c1cc(=O)c2cc(OC)cc(Br)c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
XDH P47989 1/20 0.52
CYP1A2 P05177 1/20 0.43
PLA2G7 Q13093 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
GPR35 Q9HC97 1/20 0.41
NGFR P08138 1/20 0.39
HTR1B P28222 3/20 0.39
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
PABPC1 P11940 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
NR4A2 P43354 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ULK1 O75385 1/20 0.36

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
SCHEMBL4990158 0.87 GPR35 (0.56) GLAGAACYP1A2PLA2G7MTNR1A
SCHEMBL4993673 0.84 GLA (0.51) GLAGAAXDHCYP1A2PLA2G7
SCHEMBL38660807 0.81 XDH (0.73) GLAGAAXDHCYP1A2KDM4E
SCHEMBL14263881 0.80 GLA (0.71) GLAGAAXDHCYP1A2PLA2G7
SCHEMBL11721616 0.79 GLA (0.61) GLAGAAXDHCYP1A2PLA2G7
SCHEMBL11723446 0.77 GPR35 (0.68) GLAGAAXDHCYP1A2PLA2G7
SCHEMBL11638566 0.77 GLA (0.58) GLAGAAXDHCYP1A2PLA2G7
SCHEMBL11639956 0.76 GLA (0.57) GLAGAAXDHCYP1A2PLA2G7
SCHEMBL11725265 0.76 GLA (0.57) GLAGAAXDHCYP1A2PLA2G7
SCHEMBL13234526 0.75 ALDH1A1 (0.61) GLAGAAMTNR1AMTNR1BKDM4E

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 23 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-20040110745-A1 Therapeutic chroman compounds INTEL CORPORATION 2004-06-10 US disclosed
US-20040087575-A1 Therapeutic chromone compounds SPORT COURT INTERNATIONAL, INC. 2004-05-06 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-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-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 (11 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 GLA 1288/4885GAA 453/4885XDH 497/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A GLA 1585/4885GAA 341/4885XDH 272/4885
US-20040087575-A1 Therapeutic chromone compounds HTR1B, HTR1A, HTR3B GLA 889/4885GAA 246/4885XDH 103/4885
US-20050085457-A1 Therapeutic quinolone compounds with 5-ht-antagonistic properties HTR1B, HTR1A, HTR1D GLA 3312/4885GAA 2459/4885XDH 511/4885
US-20050009818-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A GLA 990/4885GAA 382/4885XDH 439/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A GLA 990/4885GAA 382/4885XDH 439/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B GLA 1065/4885GAA 411/4885XDH 436/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B GLA 979/4885GAA 430/4885XDH 439/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A GLA 1054/4885GAA 290/4885XDH 116/4885
US-20040110745-A1 Therapeutic chroman compounds HTR1A, ACHE, CALCA GLA 529/4885GAA 592/4885XDH 89/4885
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 GLA 2802/4885GAA 1423/4885XDH 1686/4885

“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.