SCHEMBL4787008

SCHEMBL4787008

O=S(=O)(c1ccc(CNCc2ccccn2)cc1)N1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
KDM4E B2RXH2 2/20 0.50
AKR1C3 P42330 2/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 2/20 0.46
CA2 P00918 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4743994 0.92 NAMPT (0.51) NAMPTKMT2AMEN1KDM4EHTT
SCHEMBL14025526 0.92 NAMPT (0.47) NAMPTKMT2AMEN1KDM4EHTT
SCHEMBL14025654 0.89 MEN1 (0.51) NAMPTKMT2AMEN1KDM4EAKR1C3
SCHEMBL14025496 0.86 NAMPT (0.70) NAMPTKMT2AMEN1KDM4EAKR1C3
SCHEMBL14025487 0.86 KMT2A (0.69) NAMPTKMT2AMEN1KDM4EAKR1C3
SCHEMBL14025488 0.83 NAMPT (0.57) NAMPTKMT2AMEN1AKR1C3TSHR
SCHEMBL14025476 0.83 KMT2A (0.54) NAMPTKMT2AMEN1KDM4EAKR1C3
SCHEMBL14025524 0.82 NAMPT (0.52) NAMPTKMT2AMEN1KDM4EAKR1C3
SCHEMBL14025485 0.82 NAMPT (0.52) NAMPTKMT2AMEN1KDM4EAKR1C3
SCHEMBL14025655 0.80 ALDH1A1 (0.47) NAMPTKMT2AMEN1KDM4EAKR1C3

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 513/4885KMT2A 682/4885MEN1 173/4885

“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.