SCHEMBL14025596

SCHEMBL14025596

O=S(=O)(c1cccc(CN2CCNCC2)c1)N(Cc1ccccc1)C1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.49
NR1H2 P55055 1/20 0.47
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
HTR6 P50406 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
HTR2C P28335 1/20 0.40
CXCR4 P61073 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
BDKRB1 P46663 3/20 0.39
GAA P10253 1/20 0.39
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14025587 0.87 CXCR4 (0.49) NR1H2CXCR4CHRM3
SCHEMBL14025578 0.82 NR1H2 (0.55) NR1H2HTR6HTR2CCXCR4SIGMAR1
SCHEMBL14025571 0.81 TAS2R14 (0.54) TAS2R14PDE4APDE4BPDE4CPDE4D
SCHEMBL4743408 0.77 CXCR4 (0.61) NR1H2HTR6HTR2CCXCR4SIGMAR1
SCHEMBL14025606 0.76 NR1H2 (0.70) TAS2R14NR1H2HTR6HTR2CCXCR4
SCHEMBL14025607 0.75 TAS2R14 (0.48) TAS2R14PDE4APDE4BPDE4CPDE4D
SCHEMBL14025556 0.74 PDE4A (0.52) TAS2R14PDE4APDE4BPDE4CPDE4D
SCHEMBL14025592 0.74 NR1H2 (0.64) TAS2R14NR1H2HTR6CXCR4SIGMAR1
SCHEMBL14025579 0.73 NR1H2 (0.56) NR1H2HTR6HTR2CCXCR4SIGMAR1
SCHEMBL14025584 0.70 NR1H2 (0.49) NR1H2HTR6CXCR4SIGMAR1GAA

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 3 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
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 TAS2R14 4808/4885NR1H2 3154/4885PDE4A 2435/4885

“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.