SCHEMBL4388481

SCHEMBL4388481

CCOC(=O)c1cc2sc(Cc3ccccc3)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
HRH3 Q9Y5N1 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX15 P16050 2/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL1245066 0.89 RAB9A (0.51) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1244568 0.88 ALOX15 (0.55) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL4393058 0.84 DAO (0.47) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL15850382 0.83 ALDH1A1 (0.51) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL69116 0.80 HPGD (0.58) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL18034454 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1244713 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1244117 0.77 KDM4E (0.51) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL6625018 0.75 KDM4E (0.49) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1244590 0.74 RAB9A (0.51) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306169-A1 Use of Fused Pyrrole Carboxylic Acids for the Treatment of Neurodegenerative and Psychiatric Diseases and D-Amino Acid Oxidase Inhibitors BRANDISH PHILIP E 2009-12-10 US disclosed
EP-1942885-A1 USE OF FUSED PYRROLE CARBOXYLIC ACIDS FOR THE TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES AS D-AMINO ACID OXIDASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2008-07-16 EP disclosed
WO-2007039773-A1 USE OF FUSED PYRROLE CARBOXYLIC ACIDS FOR THE TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES AS D-AMINO ACID OXIDASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2007-04-12 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 (1 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-20090306169-A1 Use of Fused Pyrrole Carboxylic Acids for the Treatment of Neurodegenerative and Psychiatric Diseases and D-Amino Acid Oxidase Inhibitors DAO, DDO, MAOB KDM4E 1526/4885ALDH1A1 337/4885HPGD 108/4885

“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.