SCHEMBL4924569

SCHEMBL4924569

CN(Cc1ccccc1)S(=O)(=O)c1ccc(CNCc2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
LMNA P02545 4/20 0.52
PKM P14618 1/20 0.52
SLC12A2 P55011 1/20 0.52
SLC12A5 Q9H2X9 1/20 0.52
NAMPT P43490 2/20 0.52
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.50
ADRB2 P07550 1/20 0.50
HTT P42858 1/20 0.50
CXCR3 P49682 1/20 0.50
CXCR4 P61073 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KCNA5 P22460 1/20 0.49
CA2 P00918 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PDE4A P27815 1/20 0.48

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
SCHEMBL14025548 0.88 PKM (0.53) GAALMNAPKMSLC12A2SLC12A5
SCHEMBL4924546 0.88 CXCR3 (0.64) LMNAKMT2AALDH1A1MEN1CXCR3
SCHEMBL4926285 0.84 CXCR3 (0.56) GAALMNAPKMSLC12A2SLC12A5
SCHEMBL27312344 0.81 NPC1 (0.63) GAALMNAKMT2AALDH1A1MEN1
SCHEMBL4921625 0.81 NAMPT (0.49) LMNANAMPTKMT2AALDH1A1MEN1
SCHEMBL4916922 0.80 CXCR3 (0.53) LMNAKMT2AMEN1MAPTCXCR3
SCHEMBL14005174 0.79 KMT2A (0.49) GAALMNAKMT2AALDH1A1MEN1
SCHEMBL4743987 0.79 PRMT1 (0.63) LMNAKMT2AALDH1A1MEN1HTT
SCHEMBL14025432 0.78 CXCR3 (0.60) GAALMNAPKMSLC12A2SLC12A5
SCHEMBL14029808 0.78 KMT2A (0.71) GAALMNAPKMSLC12A2SLC12A5

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-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
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 GAA 3192/4885LMNA 2811/4885PKM 150/4885

“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.