SCHEMBL5455562

SCHEMBL5455562

NC(=O)c1c(NC(=O)NN2CCCCC2)sc2cc(O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.41
ESR2 Q92731 17/20 0.41
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PLD2 O14939 1/20 0.38
KDM1A O60341 1/20 0.38
NR1I2 O75469 1/20 0.38
USP2 O75604 1/20 0.38
C5 P01031 1/20 0.38
FYN P06241 1/20 0.38
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL5450799 0.80 EPHX1 (0.49) ESR1MEN1ALDH1A1LMNATP53
SCHEMBL5447612 0.78 EPHX1 (0.47) MEN1ALDH1A1LMNATP53MAPT
SCHEMBL5457824 0.78 RAB9A (0.43) ESR1ESR2MEN1ALDH1A1TP53
SCHEMBL5460519 0.76 ESR1 (0.39) ESR1ESR2CYP3A4MAPTCYP2D6
SCHEMBL5451109 0.76 MEN1 (0.56) MEN1ALDH1A1LMNATP53CYP3A4
SCHEMBL5462756 0.75 ESR1 (0.39) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL5467623 0.75 KDR (0.42) ESR1ESR2MEN1ALDH1A1MAPT
SCHEMBL5450964 0.75 FLT3 (0.48) ESR1MAPTHTT
SCHEMBL5447596 0.74 GAA (0.48) ESR1MEN1ALDH1A1LMNAMAPT
SCHEMBL5459965 0.74 MDM2 (0.45) MEN1ALDH1A1LMNAMAPTKMT2A

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 ESR1 3803/4885ESR2 2526/4885MEN1 2891/4885

“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.