SCHEMBL5457824

SCHEMBL5457824

NC(=O)c1c(NC(=O)NC2CC2)sc2cc(O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
EPHX1 P07099 2/20 0.40
TP53 P04637 1/20 0.39
MAOB P27338 2/20 0.39
ESR1 P03372 7/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR2 Q92731 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
EPHX2 P34913 1/20 0.36
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL5447612 0.95 EPHX1 (0.47) RAB9ANPC1EPHX1TP53MAOB
SCHEMBL5458996 0.94 RAB9A (0.43) RAB9ANPC1EPHX1TP53MAOB
SCHEMBL5450799 0.94 EPHX1 (0.49) RAB9ANPC1EPHX1TP53MAOB
SCHEMBL5451289 0.83 EPHX2 (0.44) RAB9ANPC1EPHX1ALDH1A1MAPT
SCHEMBL5450964 0.82 FLT3 (0.48) MAOBESR1MAPTDYRK1A
SCHEMBL5460519 0.79 ESR1 (0.39) ESR1ESR2MAPTDYRK1A
SCHEMBL5451109 0.79 MEN1 (0.56) RAB9ANPC1EPHX1TP53MAOB
SCHEMBL5462756 0.78 ESR1 (0.39) RAB9ANPC1ESR1MEN1ALDH1A1
SCHEMBL5467623 0.78 KDR (0.42) RAB9ANPC1ESR1MEN1ALDH1A1
SCHEMBL5455562 0.78 ESR1 (0.41) TP53ESR1MEN1ALDH1A1KMT2A

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 6 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
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

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 RAB9A 948/4885NPC1 2627/4885EPHX1 4160/4885

“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.