SCHEMBL4921023

SCHEMBL4921023

O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N(Cc1nc2ccccc2[nH]1)c1cccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SLC40A1 Q9NP59 9/20 0.40
CA2 P00918 1/20 0.39
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4926248 0.93 SMN1; SMN2 (0.43) CXCR4SMN1; SMN2NPC1TP53MAPT
SCHEMBL4921020 0.82 ALDH1A1 (0.42) CXCR4SMN1; SMN2NPC1TP53MAPT
SCHEMBL4786868 0.81 CXCR4 (0.54) CXCR4SLC40A1MEN1POLBKMT2A
SCHEMBL4916980 0.79 KMT2A (0.53) CXCR4SMN1; SMN2NPSR1MEN1POLB
SCHEMBL4922140 0.77 CXCR4 (0.49) CXCR4SMN1; SMN2MAPK1SLC40A1CA2
SCHEMBL4922150 0.77 CXCR4 (0.49) CXCR4SMN1; SMN2MAPK1SLC40A1CA2
SCHEMBL14025551 0.77 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9ACA2HTT
SCHEMBL13909540 0.75 CXCR4 (0.58) CXCR4NPC1RAB9ASLC40A1GAA
SCHEMBL14025562 0.75 CXCR4 (0.47) CXCR4SMN1; SMN2SLC40A1GAAMEN1
SCHEMBL4922749 0.75 CXCR3 (0.47) CXCR4SMN1; SMN2GAAHSD17B10POLB

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 242/4885SMN1; SMN2 3131/4885NPC1 407/4885

“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.