SCHEMBL3045754

SCHEMBL3045754

O=C(O)c1cc(N2C(=O)C=CC2=O)ccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
MAPT P10636 3/20 0.73
NPSR1 Q6W5P4 3/20 0.73
HPGD P15428 2/20 0.73
LMNA P02545 2/20 0.73
HTT P42858 1/20 0.73
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
TDP1 Q9NUW8 5/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
PKM P14618 3/20 0.57
G6PD P11413 2/20 0.57
HSP90AA1 P07900 2/20 0.57
MEN1 O00255 1/20 0.57
CCR6 P51684 1/20 0.57
KMT2A Q03164 1/20 0.57
MCL1 Q07820 1/20 0.57
CTSB P07858 1/20 0.57
DDAH1 O94760 1/20 0.53
TP53 P04637 1/20 0.52

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
SCHEMBL24939855 0.86 NPSR1 (0.59) ALDH1A1MAPTNPSR1HPGDLMNA
SCHEMBL11563858 0.84 PTGS1 (0.62) ALDH1A1MAPTNPSR1HPGDLMNA
SCHEMBL11668068 0.81 PTGS2 (0.59) ALDH1A1MAPTNPSR1HPGDLMNA
SCHEMBL28343035 0.81 PTGS1 (0.59) ALDH1A1MAPTNPSR1HPGDLMNA
SCHEMBL17661800 0.79 PTGS1 (0.57) ALDH1A1MAPTNPSR1HPGDLMNA
SCHEMBL29615738 0.79 PTGS1 (0.57) ALDH1A1MAPTNPSR1HPGDLMNA
SCHEMBL2345040 0.77 MAPT (0.61) ALDH1A1MAPTNPSR1HPGDLMNA
SCHEMBL28343010 0.77 PTGS1 (0.55) ALDH1A1MAPTNPSR1HPGDLMNA
SCHEMBL29567433 0.77 PIM3 (0.64) ALDH1A1MAPTNPSR1HPGDLMNA
SCHEMBL3050771 0.77 PIM3 (0.64) ALDH1A1MAPTNPSR1HPGDLMNA

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-20100035799-A1 METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2010-02-11 US disclosed
US-20050239688-A1 Method for the synthesis of anthracycline-peptide conjugates UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2005-10-27 US disclosed
EP-1525002-A1 METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2005-04-27 EP disclosed
WO-2004011033-A1 METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2004-02-05 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (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-20100035799-A1 METHOD FOR THE SYNTHESIS OF ANTHRACYCLINE-PEPTIDE CONJUGATES C9, DOHH, THOP1 ALDH1A1 3168/4885MAPT 4454/4885NPSR1 1933/4885
US-20050239688-A1 Method for the synthesis of anthracycline-peptide conjugates C9, DOHH, THOP1 ALDH1A1 3168/4885MAPT 4454/4885NPSR1 1933/4885

“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.