SCHEMBL5453345

SCHEMBL5453345

NC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2c1CCC(O)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.59
MAPT P10636 3/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KCNH2 Q12809 11/20 0.50
TP53 P04637 1/20 0.50
PTPN1 P18031 1/20 0.49
PDE4B Q07343 1/20 0.48
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46

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
SCHEMBL5451267 0.89 TNIK (0.59) TNIKMAPTALDH1A1NPC1RAB9A
SCHEMBL5448399 0.89 TNIK (0.62) TNIKMAPTKMT2AMEN1ALDH1A1
SCHEMBL5752965 0.89 TNIK (0.74) TNIKMAPTKMT2AMEN1ALDH1A1
SCHEMBL5446149 0.89 TNIK (0.74) TNIKMAPTKMT2AMEN1ALDH1A1
SCHEMBL5459994 0.89 TNIK (0.74) TNIKMAPTKMT2AMEN1ALDH1A1
SCHEMBL5451415 0.89 TNIK (0.56) TNIKMAPTKMT2AMEN1ALDH1A1
SCHEMBL5453529 0.86 TNIK (0.59) TNIKMAPTKCNH2DUSP3PTPN5
SCHEMBL5446191 0.86 TNIK (0.59) TNIKMAPTKMT2AMEN1ALDH1A1
SCHEMBL5459133 0.86 TNIK (0.59) TNIKMAPTKMT2AMEN1KCNH2
SCHEMBL5452297 0.86 TNIK (0.54) TNIKMAPTKCNH2PTPN1PDE4B

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 2 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

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 4134/4885MAPT 21/4885KMT2A 4785/4885

“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.