SCHEMBL14025548

SCHEMBL14025548

CN(Cc1ccccc1)S(=O)(=O)c1cccc(CNCc2ccccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
LMNA P02545 2/20 0.53
SLC12A2 P55011 1/20 0.53
SLC12A5 Q9H2X9 1/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 8/20 0.52
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HTT P42858 1/20 0.45
SMARCA2 P51531 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL4924569 0.88 GAA (0.55) PKMLMNASLC12A2SLC12A5GAA
SCHEMBL4924534 0.88 KMT2A (0.58) GAAALDH1A1KMT2AMEN1PDE4A
SCHEMBL14025557 0.87 ALDH1A1 (0.48) PKMLMNASLC12A2SLC12A5GAA
SCHEMBL14025560 0.87 ALDH1A1 (0.53) PKMLMNAALDH1A1KMT2AMEN1
SCHEMBL14025552 0.87 GAA (0.47) PKMLMNASLC12A2SLC12A5GAA
SCHEMBL14025558 0.85 TDP1 (0.44) PKMLMNASLC12A2SLC12A5GAA
SCHEMBL14025563 0.85 GAA (0.47) PKMLMNASLC12A2SLC12A5GAA
SCHEMBL14025625 0.84 PDE4A (0.54) PKMLMNASLC12A2SLC12A5GAA
SCHEMBL14025562 0.83 CXCR4 (0.47) PKMLMNASLC12A2SLC12A5GAA
SCHEMBL14025555 0.83 NPSR1 (0.55) LMNAGAAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A PKM 150/4885LMNA 2811/4885SLC12A2 2873/4885

“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.