SCHEMBL4926285

SCHEMBL4926285

CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.56
KCNA5 P22460 1/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 5/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 2/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
PKM P14618 1/20 0.53
SLC12A2 P55011 1/20 0.53
SLC12A5 Q9H2X9 1/20 0.53
CXCR4 P61073 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ADRB2 P07550 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 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
SCHEMBL14025461 0.89 CXCR3 (0.47) CXCR3KCNA5KMT2AALDH1A1LMNA
SCHEMBL14025625 0.89 PDE4A (0.54) CXCR3KCNA5KMT2AALDH1A1LMNA
SCHEMBL4924569 0.84 GAA (0.55) CXCR3KCNA5KMT2AALDH1A1LMNA
SCHEMBL14029808 0.83 KMT2A (0.71) CXCR3KCNA5KMT2AALDH1A1LMNA
SCHEMBL11117408 0.80 MAPT (0.68) CXCR3KCNA5KMT2AALDH1A1CXCR4
SCHEMBL5590271 0.80 MAPT (0.68) CXCR3KCNA5KMT2AALDH1A1CXCR4
SCHEMBL29670844 0.80 MAPT (0.68) CXCR3KCNA5KMT2AALDH1A1CXCR4
SCHEMBL14025622 0.80 PDE4A (0.46) KMT2AALDH1A1LMNAMEN1PDE4A
SCHEMBL3410737 0.80 KCNA5 (0.54) CXCR3KCNA5KMT2APDE4APDE4B
SCHEMBL4922953 0.79 ALDH1A1 (0.64) KMT2AALDH1A1LMNAMEN1PKM

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.