SCHEMBL5453335

SCHEMBL5453335

COc1c(C(N)=O)sc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.60
IKBKB O14920 1/20 0.60
ALOX5 P09917 1/20 0.55
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ATM Q13315 2/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 1/20 0.54
GLA P06280 1/20 0.54
ICAM1 P05362 2/20 0.52
SELE P16581 2/20 0.52
VCAM1 P19320 1/20 0.52
LMNA P02545 3/20 0.51
MAPK1 P28482 3/20 0.51
MAOB P27338 1/20 0.49

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
SCHEMBL1098130 0.85 MCL1 (0.57) LIMK1IKBKBALOX5MAPTKMT2A
SCHEMBL9603073 0.85 MAPT (0.59) LIMK1IKBKBALOX5MAPTKMT2A
SCHEMBL6596229 0.83 LMNA (0.51) LIMK1IKBKBALOX5MAPTKMT2A
SCHEMBL9025214 0.83 LMNA (0.69) LIMK1ALOX5MAPTKMT2AALDH1A1
SCHEMBL6938271 0.83 ICAM1 (0.68) LIMK1IKBKBALOX5MAPTKMT2A
SCHEMBL8442991 0.81 ICAM1 (0.77) IKBKBMAPTALDH1A1GAAKDM4E
SCHEMBL29445497 0.81 HDAC1 (0.60) LIMK1ALOX5MAPTKMT2AALDH1A1
SCHEMBL9214257 0.80 LIMK1 (0.53) LIMK1IKBKBMAPTKMT2AALDH1A1
SCHEMBL17842796 0.80 LIMK1 (0.55) LIMK1IKBKBALOX5MAPTKMT2A
SCHEMBL29483598 0.77 LIMK1 (0.68) LIMK1IKBKBMAPTKMT2AALDH1A1

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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 LIMK1 3271/4885IKBKB 1034/4885ALOX5 1849/4885

“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.