SCHEMBL5453417

SCHEMBL5453417

CSc1ccccc1NC(=O)Nc1sc2c(c1C(N)=O)CCC(O)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.56
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 5/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
PTPN1 P18031 1/20 0.46
PDE4B Q07343 5/20 0.46
PDE4D Q08499 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ANO1 Q5XXA6 2/20 0.45
HPGD P15428 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5459994 0.83 TNIK (0.74) TNIKALDH1A1KDM4ETHRBMAPT
SCHEMBL5752965 0.83 TNIK (0.74) TNIKALDH1A1KDM4ETHRBMAPT
SCHEMBL5446149 0.83 TNIK (0.74) TNIKALDH1A1KDM4ETHRBMAPT
SCHEMBL5459133 0.83 TNIK (0.59) TNIKKDM4EMAPTDUSP3PTPN5
SCHEMBL5453491 0.82 TNIK (0.52) TNIKALDH1A1KDM4EMAPTDUSP3
SCHEMBL5458879 0.82 TNIK (0.58) TNIKALDH1A1KDM4ETHRBMAPT
SCHEMBL5452231 0.81 TNIK (0.50) TNIKALDH1A1KDM4ETHRBMAPT
SCHEMBL5456297 0.81 ANO1 (0.52) TNIKALDH1A1KDM4ETHRBMAPT
SCHEMBL5460609 0.81 CFTR (0.58) TNIKPTPN1ANO1NPC1RAB9A
SCHEMBL5448399 0.77 TNIK (0.62) TNIKALDH1A1KDM4EMAPTDUSP3

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
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 TNIK 4134/4885ALDH1A1 1153/4885KDM4E 3417/4885

“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.