SCHEMBL4983007

SCHEMBL4983007

CCOC(=O)c1cc(=O)c2cc(F)cc(Br)c2o1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.58
AKR1B1 P15121 2/20 0.50
MAOB P27338 3/20 0.49
SLC2A1 P11166 1/20 0.43
KMT2A Q03164 1/20 0.42
THRB P10828 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 2/20 0.40
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL29540395 0.87 GPR35 (0.60) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL19744146 0.87 GPR35 (0.60) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL4992710 0.87 AKR1B1 (0.52) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL4988941 0.86 AKR1B1 (0.57) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL4253257 0.85 GPR35 (0.55) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL4982790 0.85 MAOB (0.62) GPR35AKR1B1MAOBSLC2A1THRB
SCHEMBL19743716 0.85 GPR35 (0.58) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL931539 0.84 MAOB (0.51) GPR35AKR1B1MAOBHDAC4HDAC6
SCHEMBL4988603 0.84 GPR35 (0.49) GPR35AKR1B1MAOBSLC2A1KMT2A
SCHEMBL19744064 0.81 GPR35 (0.55) GPR35AKR1B1MAOBSLC2A1KMT2A

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 32 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-20070219372-A1 Novel Amination Process ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-20070219372-A1 Novel Amination Process ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-20070219372-A1 Novel Amination Process ASTRAZENECA AB (SE) 2007-09-20 US disclosed
EP-1732914-A1 NOVEL PROCESS AstraZeneca AB (SE) 2006-12-20 EP disclosed
EP-1730123-A1 NOVEL AMINATION PROCESS AstraZeneca AB (SE) 2006-12-13 EP 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-20040082591-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2004-04-29 US disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP 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-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 (5 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 GPR35 113/4885AKR1B1 1990/4885MAOB 27/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A GPR35 326/4885AKR1B1 2039/4885MAOB 37/4885
US-20070219372-A1 Novel Amination Process HTR1B, HTR2B, HTR1A GPR35 933/4885AKR1B1 223/4885MAOB 15/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B GPR35 251/4885AKR1B1 1172/4885MAOB 27/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B GPR35 204/4885AKR1B1 1091/4885MAOB 25/4885

“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.