SCHEMBL5464656

SCHEMBL5464656

O=C(CSC1C2=C(CCCC2)C(=O)N1Cc1ccc2cocc2c1)Nc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 3/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FAAH O00519 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL5464651 0.88 ALDH1A1 (0.38) TDP1GLAALDH1A1TP53GAA
SCHEMBL2666690 0.88 ALDH1A1 (0.38) TDP1GLAALDH1A1TP53GAA
SCHEMBL5456554 0.86 KMT2A (0.37) TDP1GLAALDH1A1TP53GAA
SCHEMBL2666668 0.86 HCRTR1 (0.39) TDP1GLAALDH1A1TP53GAA
SCHEMBL2666863 0.86 HTT (0.41) TDP1GLAALDH1A1TP53GAA
SCHEMBL14507622 0.85 KMT2A (0.40) TDP1GLAALDH1A1TP53GAA
SCHEMBL2666539 0.84 MEN1 (0.43) ALDH1A1TP53KDM4EKMT2AMEN1
SCHEMBL2662132 0.84 KMT2A (0.41) TDP1ALDH1A1TP53GAAHTT
SCHEMBL2666711 0.83 ALDH1A1 (0.45) TDP1ALDH1A1GAAKDM4EKMT2A
SCHEMBL2666534 0.82 SMN1; SMN2 (0.47) TDP1ALDH1A1TP53GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US 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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 TDP1 3460/4885GLA 850/4885ALDH1A1 2410/4885

“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.