Sugi Predict

Sugi Predict / Compounds / SCHEMBL4989157

SCHEMBL4989157

SCHEMBL4989157

CCOC(=O)c1cc(=O)c2c(C)ccc(Cl)c2o1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.53
▸ MAPK1 P28482 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ CHRM2 P08172 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ TP53 P04637 3/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ SLC2A1 P11166 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ METTL3 Q86U44 1/20 0.38

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
SCHEMBL27602173 0.82 KDM4E (0.44) PTGS1GPR35MAPTKDM4E
SCHEMBL22617428 0.80 MAOB (0.61) MAOBMAPK1AKR1B1TP53THRB
SCHEMBL9635495 0.79 MAPK1 (0.67) MAOBMAPK1AKR1B1TP53CYP4F2
SCHEMBL4991501 0.77 MAPK1 (0.42) MAOBMAPK1AKR1B1CHRM2ADORA3
SCHEMBL29540494 0.76 MAOB (0.66) MAOBMAPK1AKR1B1TP53THRB
SCHEMBL22617125 0.76 MAOB (0.66) MAOBMAPK1AKR1B1TP53THRB
SCHEMBL9752896 0.75 MAPK1 (0.61) MAOBMAPK1AKR1B1CYP4F2CYP4A11
SCHEMBL22617244 0.75 MAOB (0.64) MAOBMAPK1AKR1B1TP53THRB
SCHEMBL17842824 0.74 MAOB (0.51) MAOBMAPK1CYP4F2CYP4A11MAPT
SCHEMBL13856746 0.74 TP53 (0.57) MAOBMAPK1AKR1B1CHRM2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090004106-A1 Radioligands for the 5 -Ht1b Receptor ASTRAZENECA AB (SE) 2009-01-01 — — US disclosed
US-20090004106-A1 Radioligands for the 5 -Ht1b Receptor ASTRAZENECA AB (SE) 2009-01-01 — — US disclosed
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
WO-2007094718-A1 RADIOLIGANDS FOR THE 5 -HT1B RECEPTOR ASTRAZENECA AB (SE) 2007-08-23 — — WO 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-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-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 — — WO 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 (7 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 MAOB 27/4885MAPK1 2684/4885AKR1B1 1990/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A MAOB 37/4885MAPK1 2839/4885AKR1B1 2039/4885
US-20090004106-A1 Radioligands for the 5 -Ht1b Receptor HTR1B, HTR2B, HTR3B MAOB 84/4885MAPK1 2673/4885AKR1B1 787/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A MAOB 21/4885MAPK1 2639/4885AKR1B1 1076/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B MAOB 27/4885MAPK1 2259/4885AKR1B1 1172/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B MAOB 25/4885MAPK1 2565/4885AKR1B1 1091/4885
US-20060019947-A1 Therapeutic chromone compounds HTR1B, HTR3B, HTR1A MAOB 15/4885MAPK1 1868/4885AKR1B1 778/4885

“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.