SCHEMBL2636845

SCHEMBL2636845

O=C(Nc1ccc(OC2CCCC2)cc1)Nc1ccc(N2CCC(CNC(=O)[C@H]3CCCN3C(=O)O)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
ALDH1A1 P00352 8/20 0.53
TDP1 Q9NUW8 4/20 0.53
MCL1 Q07820 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
ALOX15 P16050 2/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL2636848 1.00 MAPT (0.53) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL2637271 1.00 MAPT (0.53) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL1749555 0.88 MAPT (0.50) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL1750068 0.87 MAPT (0.48) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL1750534 0.87 KDM4E (0.52) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL1750688 0.86 MAPT (0.61) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL1748757 0.86 MAPT (0.53) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL2637095 0.86 MAPT (0.51) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL2637103 0.86 MAPT (0.51) MAPTALDH1A1TDP1MCL1KDM4E
SCHEMBL2636324 0.86 MAPT (0.49) MAPTALDH1A1TDP1MCL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 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-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885ALDH1A1 374/4885TDP1 4000/4885

“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.