SCHEMBL4924546

SCHEMBL4924546

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

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 10/20 0.64
KCNA5 P22460 1/20 0.64
KMT2A Q03164 3/20 0.60
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
MEN1 O00255 2/20 0.55
TSHR P16473 1/20 0.55
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.49

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
SCHEMBL14025432 0.89 CXCR3 (0.60) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL4916922 0.89 CXCR3 (0.53) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL4924534 0.88 KMT2A (0.58) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL4924569 0.88 GAA (0.55) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL4741416 0.87 TAS2R14 (0.62) CXCR3KMT2AMEN1CA2TAS2R14
SCHEMBL27312344 0.86 NPC1 (0.63) CXCR3KCNA5KMT2AMEN1TSHR
SCHEMBL4786868 0.86 CXCR4 (0.54) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL4743380 0.84 TAS2R14 (0.54) CXCR3KMT2AMEN1CA2ALDH1A1
SCHEMBL14025445 0.82 CXCR3 (0.56) CXCR3KCNA5KMT2AMEN1LMNA
SCHEMBL14005174 0.81 KMT2A (0.49) CXCR3KCNA5KMT2AMEN1TSHR

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 CXCR3 248/4885KCNA5 4120/4885KMT2A 682/4885

“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.