SCHEMBL5452028

SCHEMBL5452028

NC(=O)c1c(NC(=O)Nc2ccc(SC(F)(F)F)cc2)sc2cc(O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 2/20 0.36
BAZ1A Q9NRL2 1/20 0.36
MCHR1 Q99705 1/20 0.35
DYRK1A Q13627 3/20 0.35
DYRK1B Q9Y463 1/20 0.35
KCNH2 Q12809 3/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5455604 0.86 MAPT (0.48) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL5455862 0.86 BAZ1A (0.51) KIF11NPC1RAB9AALDH1A1MEN1
SCHEMBL5460123 0.83 EPHX2 (0.52) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL5456326 0.82 MEN1 (0.43) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL5447596 0.82 GAA (0.48) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL5458283 0.82 MEN1 (0.43) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL5451109 0.82 MEN1 (0.56) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL5459965 0.80 MDM2 (0.45) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL17625474 0.80 CA12 (0.43) KIF11NPC1RAB9AALDH1A1MEN1
SCHEMBL5460392 0.80 RAB9A (0.49) NPC1RAB9AALDH1A1MEN1MAPT

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 KIF11 4746/4885NPC1 2627/4885RAB9A 948/4885

“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.