SCHEMBL4743380

SCHEMBL4743380

O=S(=O)(c1ccc(CNCc2ccncc2)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 6/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
NAMPT P43490 3/20 0.52
CNR2 P34972 4/20 0.51
MAPT P10636 1/20 0.51
CXCR3 P49682 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL4741416 0.91 TAS2R14 (0.62) TAS2R14KMT2AMEN1CNR2MAPT
SCHEMBL4918645 0.91 CA12 (0.56) TAS2R14KMT2AMEN1NAMPTCNR2
SCHEMBL4918682 0.88 NAMPT (0.67) TAS2R14KMT2AMEN1NAMPTALDH1A1
SCHEMBL14025639 0.88 TAS2R14 (0.49) TAS2R14KMT2AMEN1NAMPTCNR2
SCHEMBL6121673 0.85 KMT2A (0.58) TAS2R14KMT2AMEN1CNR2ALDH1A1
SCHEMBL4924546 0.84 CXCR3 (0.64) TAS2R14KMT2AMEN1CXCR3CA2
SCHEMBL4926437 0.83 CNR2 (0.64) TAS2R14KMT2AMEN1CNR2MAPT
SCHEMBL14025446 0.82 CA12 (0.65) TAS2R14KMT2AMEN1CNR2MAPT
SCHEMBL14025445 0.81 CXCR3 (0.56) TAS2R14KMT2AMEN1CNR2MAPT
SCHEMBL4920985 0.80 CNR2 (0.50) TAS2R14KMT2AMEN1NAMPTCNR2

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 TAS2R14 4808/4885KMT2A 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.