SCHEMBL5451289

SCHEMBL5451289

NC(=O)c1c(NC(=O)NC2CC3CCC2C3)sc2cc(O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
PRSS12 P56730 1/20 0.38
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SIGMAR1 Q99720 2/20 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
SCHEMBL5457824 0.83 RAB9A (0.43) EPHX2ALDH1A1RAB9AMAPTNPC1
SCHEMBL5447612 0.81 EPHX1 (0.47) EPHX2ALDH1A1RAB9AMAPTNPC1
SCHEMBL5450799 0.81 EPHX1 (0.49) EPHX2ALDH1A1RAB9ANPC1GAA
SCHEMBL5458996 0.79 RAB9A (0.43) ALDH1A1RAB9ANPC1GAAEPHX1
SCHEMBL5450964 0.76 FLT3 (0.48) MAPTMAPK1
SCHEMBL5467623 0.74 KDR (0.42) ALDH1A1RAB9AMAPTNPC1GAA
SCHEMBL5447565 0.73 GRM1 (0.46) RAB9AMAPTNPC1HPGDSMN1; SMN2
SCHEMBL5460519 0.73 ESR1 (0.39) MAPTNPSR1MAPK1KDM4ETSHR
SCHEMBL5451109 0.73 MEN1 (0.56) EPHX2ALDH1A1RAB9AMAPTNPC1
SCHEMBL5447548 0.73 KDR (0.51) RAB9ANPC1SMN1; SMN2KDM4E

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 EPHX2 3325/4885PRSS12 2427/4885ALDH1A1 1153/4885

“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.