SCHEMBL5458879

SCHEMBL5458879

CSc1cccc(NC(=O)Nc2sc3c(c2C(N)=O)CCC(O)C3)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.58
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 3/20 0.47
PDE4B Q07343 3/20 0.47
MAPT P10636 8/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5459133 0.88 TNIK (0.59) TNIKMEN1KMT2AKDM4EPDE4B
SCHEMBL5752965 0.85 TNIK (0.74) TNIKMEN1KMT2AKDM4EPDE4B
SCHEMBL5459994 0.85 TNIK (0.74) TNIKMEN1KMT2AKDM4EPDE4B
SCHEMBL5446149 0.85 TNIK (0.74) TNIKMEN1KMT2AKDM4EPDE4B
SCHEMBL5458044 0.82 CFTR (0.57) TNIKMEN1KMT2AKDM4EMAPT
SCHEMBL5453417 0.82 TNIK (0.56) TNIKMEN1KMT2AKDM4EPDE4B
SCHEMBL5458349 0.80 MAPT (0.57) TNIKMEN1KMT2AKDM4EMAPT
SCHEMBL5451267 0.79 TNIK (0.59) TNIKKDM4EMAPTDUSP3PTPN5
SCHEMBL5453345 0.79 TNIK (0.59) TNIKMEN1KMT2AKDM4EPDE4B
SCHEMBL5448399 0.79 TNIK (0.62) TNIKMEN1KMT2AKDM4EPDE4B

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 4134/4885MEN1 2891/4885KMT2A 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.