SCHEMBL2398236

SCHEMBL2398236

CCc1nc(NC(=O)C2CCCCC2C(=O)O)sc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
CASP6 P55212 1/20 0.45
MAPK1 P28482 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 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
SCHEMBL2398266 0.83 SMN1; SMN2 (0.67) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL2398452 0.82 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL2399219 0.79 ALDH1A1 (0.58) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL1916165 0.76 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL1915274 0.76 ALDH1A1 (0.68) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL24435327 0.75 NPC1 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL1915823 0.75 ALDH1A1 (0.73) ALDH1A1HTTSMN1; SMN2KDM4EMAPT
SCHEMBL28683902 0.75 SMN1; SMN2 (0.43) ALDH1A1HTTSMN1; SMN2HPGDNPC1
SCHEMBL28683900 0.75 SMN1; SMN2 (0.43) ALDH1A1HTTSMN1; SMN2HPGDNPC1
SCHEMBL1915756 0.75 ALDH1A1 (0.62) ALDH1A1HTTKDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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 (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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC ALDH1A1 623/4885HTT 1481/4885SMN1; SMN2 3353/4885

“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.