SCHEMBL4918682

SCHEMBL4918682

O=S(=O)(c1ccc(CNCc2cccnc2)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.67
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 4/20 0.58
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.50

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
SCHEMBL4743380 0.88 TAS2R14 (0.54) NAMPTKMT2AALDH1A1TDP1L3MBTL1
SCHEMBL4741416 0.88 TAS2R14 (0.62) KMT2AMEN1TAS2R14
SCHEMBL14025638 0.88 PDE4A (0.58) NAMPTKMT2AALDH1A1PDE4APDE4B
SCHEMBL6123285 0.83 PDE4A (0.64) NAMPTKMT2AALDH1A1PDE4APDE4B
SCHEMBL12863046 0.82 PDE4A (0.67) NAMPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL4924546 0.81 CXCR3 (0.64) KMT2AALDH1A1PDE4APDE4BPDE4C
SCHEMBL165654 0.80 NAMPT (1.00) NAMPT
SCHEMBL4918645 0.80 CA12 (0.56) NAMPTKMT2AALDH1A1TDP1MEN1
SCHEMBL4920985 0.80 CNR2 (0.50) NAMPTKMT2AALDH1A1TDP1L3MBTL1
SCHEMBL4926437 0.80 CNR2 (0.64) KMT2AMEN1TAS2R14

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
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

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 NAMPT 513/4885KMT2A 682/4885ALDH1A1 423/4885

“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.