SCHEMBL4777461

SCHEMBL4777461

O=C(NCc1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NAMPT P43490 4/20 0.45
GAA P10253 4/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL4776525 0.84 PPARA (0.47) MAPTHDAC1MEN1KMT2ASMN1; SMN2
SCHEMBL4775200 0.84 L3MBTL1 (0.47) TSHRALDH1A1MAPTTDP1HDAC2
SCHEMBL4770884 0.84 ALDH1A1 (0.49) NPC1ALDH1A1MAPTTDP1NAMPT
SCHEMBL4776480 0.83 PPARG (0.44) TSHRALDH1A1MAPTHDAC4HDAC1
SCHEMBL4777500 0.83 EPHX2 (0.45) TSHRALDH1A1MAPTTDP1HDAC1
SCHEMBL4768011 0.83 ALDH1A1 (0.62) ALDH1A1TDP1NAMPTGAAMEN1
SCHEMBL4771091 0.82 EPHX2 (0.43) TSHRALDH1A1MAPTNAMPTHDAC1
SCHEMBL4773551 0.82 PPARA (0.45) TSHRALDH1A1HDAC4HDAC1HDAC7
SCHEMBL4769626 0.81 SMN1; SMN2 (0.41) NPC1ALDH1A1MAPTGAAHPGD
SCHEMBL4773543 0.80 EPHX2 (0.42) ALDH1A1MAPTHPGDMEN1KMT2A

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
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 TSHR 4714/4885NPC1 835/4885ALDH1A1 2159/4885

“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.