SCHEMBL5455873

SCHEMBL5455873

CN(C)C(=O)Nc1sc2cc(O)ccc2c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.40
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
TSHR P16473 2/20 0.35
DYRK1A Q13627 1/20 0.35
PRNP P04156 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 1/20 0.34
HTT P42858 1/20 0.34
MAPK10 P53779 1/20 0.34
NCOA2 Q15596 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ESR2 Q92731 2/20 0.34
LIMK1 P53667 1/20 0.33
CLK1 P49759 1/20 0.33

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
SCHEMBL5460519 0.82 ESR1 (0.39) ESR1ICAM1SELETSHRDYRK1A
SCHEMBL5462756 0.81 ESR1 (0.39) ESR1ICAM1SELEESR2CLK1
SCHEMBL5447565 0.80 GRM1 (0.46) ESR1CLK1
SCHEMBL5462763 0.79 KMT2A (0.55) ESR1TSHRNPSR1ESR2
SCHEMBL5450964 0.78 FLT3 (0.48) ESR1DYRK1AMAPK1HTTMAPK10
SCHEMBL5447596 0.78 GAA (0.48) ESR1HTT
SCHEMBL5451109 0.77 MEN1 (0.56) TSHRDYRK1AHTTNPSR1
SCHEMBL5467623 0.76 KDR (0.42) ESR1ICAM1SELEESR2
SCHEMBL5457824 0.76 RAB9A (0.43) ESR1DYRK1AESR2
SCHEMBL5458283 0.75 MEN1 (0.43) DYRK1A

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 4 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 claimed
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 ESR1 3803/4885ICAM1 662/4885SELE 977/4885

“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.