SCHEMBL5449182

SCHEMBL5449182

CCC1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.64
PDE4D Q08499 3/20 0.64
AIP O00170 1/20 0.63
SGTA O43765 1/20 0.63
TOMM70 O94826 1/20 0.63
STIP1 P31948 1/20 0.63
PPP5C P53041 1/20 0.63
DNAJC7 Q99615 1/20 0.63
STUB1 Q9UNE7 1/20 0.63
TNIK Q9UKE5 1/20 0.58
KDM4E B2RXH2 5/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPT P10636 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 4/20 0.55

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
SCHEMBL5453629 0.89 PDE4B (0.65) PDE4BPDE4DKDM4EMEN1KMT2A
SCHEMBL3914715 0.83 FLT3 (0.74) PDE4BPDE4DKDM4EMEN1KMT2A
SCHEMBL13159105 0.76 RXFP1 (0.64) PDE4BPDE4DKDM4EMEN1KMT2A
SCHEMBL18177310 0.74 MAPT (0.61) AIPSGTATOMM70STIP1PPP5C
SCHEMBL5451446 0.73 AIP (0.71) PDE4BPDE4DAIPSGTATOMM70
SCHEMBL5453282 0.73 AIP (0.71) PDE4BPDE4DAIPSGTATOMM70
SCHEMBL5460515 0.72 AIP (0.69) PDE4BPDE4DAIPSGTATOMM70
SCHEMBL1066142 0.72 FLT3 (0.68) PDE4BPDE4DAIPSGTATOMM70
SCHEMBL13159104 0.71 NPC1 (0.60) PDE4BPDE4DKDM4EMEN1KMT2A
SCHEMBL8290414 0.70 MEN1 (0.75) KDM4EMEN1KMT2AMAPTRAB9A

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 PDE4B 1387/4885PDE4D 1518/4885AIP 3230/4885

“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.