SCHEMBL4922528

SCHEMBL4922528

CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.77
DRD4 P21917 3/20 0.58
DRD2 P14416 1/20 0.56
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.51
RORC P51449 4/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C9 P11712 1/20 0.48
HPGD P15428 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
SCHEMBL14025627 0.88 CXCR4 (0.60) CXCR4DRD4DRD2ALDH1A1KDM4E
SCHEMBL4922949 0.88 CXCR4 (0.81) CXCR4ALDH1A1LMNAKDM4EHTT
SCHEMBL4923100 0.87 CXCR4 (1.00) CXCR4ALDH1A1LMNACNR1CNR2
SCHEMBL14025245 0.86 CXCR4 (0.79) CXCR4ALDH1A1LMNAKDM4EHTT
SCHEMBL4922475 0.86 CXCR4 (0.71) CXCR4ALDH1A1LMNAKDM4EHTT
SCHEMBL4923111 0.86 CXCR4 (1.00) CXCR4ALDH1A1LMNACNR1CNR2
SCHEMBL4917275 0.85 CXCR4 (0.77) CXCR4ALDH1A1LMNAKDM4EHTT
SCHEMBL4924863 0.84 CXCR4 (0.76) CXCR4ALDH1A1LMNAHTTRORC
SCHEMBL4924436 0.84 CXCR4 (0.79) CXCR4ALDH1A1LMNAKDM4EHTT
SCHEMBL4922710 0.82 CXCR4 (0.72) CXCR4ALDH1A1LMNAKDM4EHTT

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 CXCR4 242/4885DRD4 4477/4885DRD2 4665/4885

“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.