SCHEMBL4743994

SCHEMBL4743994

O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N1Cc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.51
CA2 P00918 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.44
CXCR4 P61073 1/20 0.44
PKM P14618 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
PRMT1 Q99873 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4787008 0.92 NAMPT (0.55) NAMPTCA2KMT2AMEN1GAA
SCHEMBL14025655 0.87 ALDH1A1 (0.47) NAMPTCA2KMT2AMEN1GAA
SCHEMBL14025526 0.86 NAMPT (0.47) NAMPTCA2KMT2AMEN1GAA
SCHEMBL14025505 0.85 NAMPT (0.67) NAMPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL14025504 0.84 CA1 (0.54) NAMPTCA2KMT2AMEN1KDM4E
SCHEMBL14025506 0.81 NAMPT (0.57) NAMPTGAAALDH1A1L3MBTL1
SCHEMBL14025517 0.81 KCNA5 (0.50) NAMPTKMT2AMEN1KDM4EPOLB
SCHEMBL14025654 0.80 MEN1 (0.51) NAMPTKMT2AMEN1KDM4EPOLB
SCHEMBL14025496 0.77 NAMPT (0.70) NAMPTKMT2AMEN1GAAKDM4E
SCHEMBL3314110 0.77 L3MBTL1 (0.62) CA2KMT2AMEN1KDM4EPOLB

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 5 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
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 NAMPT 513/4885CA2 4241/4885KMT2A 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.