SCHEMBL1750407

SCHEMBL1750407

O=C(O)NCC1CCN(c2ccc(NC(=O)c3ccc(Br)s3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.49
ALDH1A1 P00352 7/20 0.49
MCL1 Q07820 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPK1 P28482 5/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
USP2 O75604 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47
ALOX15 P16050 3/20 0.46
F10 P00742 5/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 4/20 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
SCHEMBL1750661 0.81 RAB9A (0.65) MAPTALDH1A1MCL1TDP1KDM4E
SCHEMBL1750409 0.78 MCHR1 (0.55) MAPTMEN1KMT2AUSP2HSD17B10
SCHEMBL1749694 0.75 MAPT (0.52) MAPTALDH1A1MCL1TDP1KDM4E
SCHEMBL1749697 0.75 MAPT (0.52) MAPTALDH1A1MCL1TDP1KDM4E
SCHEMBL4838151 0.74 MAPT (0.47) MAPTALDH1A1MCL1TDP1KDM4E
SCHEMBL4592841 0.73 GAA (0.49) ALDH1A1TDP1KDM4EHPGDMEN1
SCHEMBL1750688 0.72 MAPT (0.61) MAPTALDH1A1MCL1TDP1KDM4E
SCHEMBL27197486 0.72 CHIT1 (0.47) MAPTALDH1A1MCL1TDP1KDM4E
SCHEMBL1749113 0.71 RAB9A (0.64) MAPTALDH1A1MCL1TDP1KDM4E
SCHEMBL1749531 0.71 MAPT (0.44) MAPTALDH1A1MCL1TDP1KDM4E

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-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
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 MAPT 4824/4885ALDH1A1 286/4885MCL1 1915/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885ALDH1A1 374/4885MCL1 2216/4885

“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.