SCHEMBL5453549

SCHEMBL5453549

CCOc1ccc2c(C(N)=O)c(NC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.46
KMT2A Q03164 10/20 0.46
MAPT P10636 7/20 0.46
NPC1 O15118 3/20 0.46
MAPK1 P28482 3/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MYOC Q99972 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL5460276 0.90 MAPT (0.51) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL5457894 0.87 MAPT (0.46) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL5448415 0.87 MAPT (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5451259 0.86 MAPT (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5455798 0.86 MAPT (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5460194 0.86 MAPT (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5449712 0.85 MAPT (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5455953 0.84 MEN1 (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5456387 0.83 KMT2A (0.51) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL5459689 0.83 MEN1 (0.50) MEN1KMT2AMAPTNPC1MAPK1

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
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 MEN1 2891/4885KMT2A 4785/4885MAPT 21/4885

“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.