SCHEMBL4743824

SCHEMBL4743824

CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
LMNA P02545 4/20 0.58
MEN1 O00255 3/20 0.58
KDM4E B2RXH2 1/20 0.58
GALR3 O60755 1/20 0.58
HRH3 Q9Y5N1 2/20 0.56
ALDH1A1 P00352 4/20 0.55
GLA P06280 1/20 0.55
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CHRM2 P08172 1/20 0.50
GAA P10253 1/20 0.49
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL4787282 0.91 HRH3 (0.69) KMT2ALMNAMEN1KDM4EGALR3
SCHEMBL4882465 0.90 HRH3 (0.71) KMT2ALMNAMEN1KDM4EGALR3
SCHEMBL4922018 0.89 HRH3 (0.57) KMT2ALMNAMEN1KDM4EGALR3
SCHEMBL14025644 0.89 HRH3 (0.47) KMT2ALMNAMEN1KDM4EGALR3
SCHEMBL4926858 0.88 HRH3 (0.56) KMT2ALMNAMEN1KDM4EGALR3
SCHEMBL4914906 0.87 HRH3 (0.54) KMT2ALMNAMEN1KDM4EGALR3
SCHEMBL4786306 0.86 ALDH1A1 (0.48) KMT2ALMNAMEN1KDM4EGALR3
SCHEMBL4924623 0.81 ALDH1A1 (0.52) KMT2ALMNAKDM4EHRH3ALDH1A1
SCHEMBL14025184 0.81 ALDH1A1 (0.52) KMT2ALMNAKDM4EHRH3ALDH1A1
SCHEMBL4924617 0.81 ALDH1A1 (0.52) KMT2ALMNAKDM4EHRH3ALDH1A1

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 5 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
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 KMT2A 682/4885LMNA 2811/4885MEN1 173/4885

“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.