SCHEMBL5453210

SCHEMBL5453210

NC(=O)c1c(NC(=O)Nc2ccncc2)sc2c1CCOC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.59
KCNH2 Q12809 8/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
FLT3 P36888 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
EPHB4 P54760 1/20 0.52
POLB P06746 1/20 0.51
ANO1 Q5XXA6 2/20 0.48
PTPRC P08575 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPRB P23467 1/20 0.48
PTPRE P23469 1/20 0.48
TNIK Q9UKE5 1/20 0.48
CXCR2 P25025 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
SCHEMBL5455947 0.89 MEN1 (0.65) CFTRKCNH2NPC1RAB9AMAPT
SCHEMBL16962264 0.88 KCNH2 (0.68) CFTRKCNH2NPC1RAB9AMAPT
SCHEMBL5463139 0.87 CFTR (0.55) CFTRKCNH2NPC1RAB9AMAPT
SCHEMBL5457822 0.87 CFTR (0.59) CFTRKCNH2NPC1RAB9AFLT3
SCHEMBL5449304 0.87 CFTR (0.65) CFTRKCNH2NPC1RAB9AALDH1A1
SCHEMBL5457888 0.87 ANO1 (0.64) CFTRKCNH2NPC1RAB9AMAPT
SCHEMBL5447523 0.86 CFTR (0.56) CFTRKCNH2NPC1RAB9AKMT2A
SCHEMBL5460547 0.85 MEN1 (0.58) CFTRKCNH2NPC1RAB9AMAPT
SCHEMBL5446177 0.85 CFTR (0.60) CFTRKCNH2NPC1RAB9AFLT3
SCHEMBL14361097 0.85 CFTR (0.60) CFTRKCNH2NPC1RAB9AKMT2A

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 7 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
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO 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 CFTR 2030/4885KCNH2 3409/4885NPC1 2627/4885

“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.