SCHEMBL5886453

SCHEMBL5886453

N#Cc1cccc2c1C=CC(=O)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 4/20 0.45
ALDH1A1 P00352 4/20 0.42
IDO1 P14902 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
BCHE P06276 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
PTPN1 P18031 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
PTPN22 Q9Y2R2 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
SCHEMBL29188925 0.89 CDC25B (0.44) PTPRCALDH1A1IDO1KDM4EMEN1
SCHEMBL5886422 0.71 PTPRC (0.49) PTPRCALDH1A1IDO1KDM4EMEN1
SCHEMBL10409093 0.71 MAPT (0.53) PTPRCALDH1A1IDO1KDM4EMEN1
SCHEMBL5886239 0.71 PTPRC (0.53) PTPRCALDH1A1IDO1KDM4EMEN1
SCHEMBL8600436 0.71 PTPRC (0.49) PTPRCALDH1A1IDO1KDM4EMEN1
SCHEMBL30496126 0.71 MAPT (0.53) PTPRCALDH1A1IDO1KDM4EMEN1
SCHEMBL13445016 0.71 PTPRC (0.49) PTPRCALDH1A1IDO1KDM4EMEN1
SCHEMBL5886509 0.71 PTPRC (0.49) PTPRCALDH1A1IDO1KDM4EMEN1
SCHEMBL8486849 0.70 USP8 (0.48) ALDH1A1MEN1MAPTHPGDALOX15
SCHEMBL9265082 0.69 USP8 (0.58) PTPRCALDH1A1KDM4EMEN1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US disclosed
US-20050143383-A1 Pharmaceutical compounds XENOVA LIMITED (GB) 2005-06-30 US disclosed
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II XENOVA LIMITED (GB) 2003-07-24 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 (2 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-20050143383-A1 Pharmaceutical compounds CHRNA10, OPRM1, SCN10A PTPRC 3881/4885ALDH1A1 3766/4885IDO1 3508/4885
US-20030139409-A1 Benzo[A] [phenazin-11-carboxamide derivatives and their use as joint inhibitors of topomerase I and II TOP1, TOP2A, TOP2B PTPRC 2451/4885ALDH1A1 2334/4885IDO1 947/4885

“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.