SCHEMBL4791474

SCHEMBL4791474

O=C(NCc1ccc2c(c1)OCO2)c1ccc(N(Cc2ccccc2Cl)S(=O)(=O)CCl)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 3/20 0.61
PKM P14618 2/20 0.61
NPSR1 Q6W5P4 1/20 0.60
LMNA P02545 3/20 0.54
ALDH2 P05091 1/20 0.54
HSP90AA1 P07900 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 3/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
MMP13 P45452 1/20 0.52
GLA P06280 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
SCHEMBL4767807 0.90 NPSR1 (0.74) ALDH1A1MAPTPKMNPSR1LMNA
SCHEMBL5571868 0.84 ALDH1A1 (0.58) ALDH1A1MAPTPKMNPSR1LMNA
SCHEMBL5571397 0.78 ALDH1A1 (0.61) ALDH1A1MAPTPKMNPSR1LMNA
SCHEMBL4767802 0.76 KMT2A (0.64) ALDH1A1MAPTPKMLMNAALDH2
SCHEMBL4768048 0.75 HPGD (0.54) ALDH1A1MAPTPKMNPSR1HSP90AA1
SCHEMBL4925396 0.74 MEN1 (0.84) ALDH1A1MAPTPKMLMNAHSP90AA1
SCHEMBL4771234 0.73 GAA (0.72) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL4777505 0.72 GAA (0.71) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL4771213 0.72 GAA (0.71) ALDH1A1MAPTNPSR1LMNAHPGD
SCHEMBL108263 0.72 ALDH1A1 (0.92) ALDH1A1LMNAHSP90AA1TDP1MEN1

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-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US 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 ALDH1A1 2159/4885MAPT 294/4885PKM 932/4885

“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.