SCHEMBL5456038

SCHEMBL5456038

Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1sc2c(c1C(N)=O)CCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.56
CCR6 P51684 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4D Q08499 1/20 0.55
NPC1 O15118 2/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
CFTR P13569 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL5458413 0.89 KMT2A (0.64) FLT3CCR6PDE4BPDE4DMAPT
SCHEMBL5450630 0.89 MAPT (0.46) FLT3CCR6PDE4BPDE4DNPC1
SCHEMBL5457889 0.88 CFTR (0.55) FLT3CCR6PDE4BPDE4DNPC1
SCHEMBL5453184 0.84 CCR6 (0.60) FLT3CCR6PDE4BPDE4DNPC1
SCHEMBL5455819 0.83 PDE4B (0.59) FLT3CCR6PDE4BPDE4DNPC1
SCHEMBL5460669 0.83 PDE4B (0.58) FLT3CCR6PDE4BPDE4DNPC1
SCHEMBL5466959 0.81 PDE4B (0.64) FLT3CCR6PDE4BPDE4DNPC1
SCHEMBL5445125 0.81 FLT3 (0.69) FLT3NPC1MAPTALDH1A1MEN1
SCHEMBL5448435 0.81 PDE4B (0.72) FLT3CCR6PDE4BPDE4DNPC1
SCHEMBL12111957 0.78 PDE4B (0.63) FLT3CCR6PDE4BPDE4DNPC1

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 FLT3 3509/4885CCR6 2431/4885PDE4B 1387/4885

“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.