SCHEMBL6197830

SCHEMBL6197830

O=C(O)c1ccc2c(Cl)cccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.56
ALOX15 P16050 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
ACMSD Q8TDX5 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 4/20 0.43
CLK1 P49759 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
AKR1B1 P15121 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL2806839 0.79 MGAM (0.58) MGAMALOX15KDM4ETSHRACMSD
SCHEMBL5181112 0.79 MGAM (0.58) MGAMALOX15KDM4ETSHRACMSD
SCHEMBL9394762 0.79 MGAM (0.44) MGAMALOX15KDM4ETSHRACMSD
SCHEMBL18463854 0.79 PDE3B (0.36) MGAMTDP1HSD17B10KMT2ACLK1
SCHEMBL2775988 0.78 ALOX15 (0.58) MGAMALOX15KDM4EALDH1A1HPGD
SCHEMBL2909537 0.78 MGAM (0.56) MGAMALOX15KDM4ETSHRACMSD
SCHEMBL18365930 0.78 MGAM (0.56) MGAMALOX15KDM4ETSHRACMSD
SCHEMBL7629466 0.78 MGAM (0.56) MGAMALOX15KDM4ETSHRACMSD
SCHEMBL6193849 0.78 MGAM (0.56) MGAMALOX15KDM4ETSHRACMSD
SCHEMBL9768818 0.76 DHODH (0.47) MGAMALOX15KDM4ETSHRACMSD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 EP disclosed
CN-1564820-A Heterocyclic compounds for use in the treatment of disorders of the urinary tract RECORDATI CHEM PHARM (CH) 2005-01-12 CN disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 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 (2 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E MGAM 4004/4885ALOX15 523/4885KDM4E 3432/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C MGAM 4343/4885ALOX15 371/4885KDM4E 3928/4885

“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.