SCHEMBL4786730

SCHEMBL4786730

COCCNCc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TAS2R14 Q9NYV8 6/20 0.53
PTGES O14684 1/20 0.53
TAS2R8 Q9NYW2 1/20 0.53
CNR2 P34972 10/20 0.52
CNR1 P21554 2/20 0.52
MAPT P10636 1/20 0.51

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
SCHEMBL14025583 0.88 TAS2R14 (0.56) CXCR3MEN1KMT2ATAS2R14CNR2
SCHEMBL4741416 0.85 TAS2R14 (0.62) CXCR3MEN1KMT2ATAS2R14CNR2
SCHEMBL14025446 0.84 CA12 (0.65) CXCR3MEN1KMT2ATAS2R14CNR2
SCHEMBL4926437 0.82 CNR2 (0.64) CXCR3MEN1KMT2ATAS2R14CNR2
SCHEMBL4924176 0.80 TAS2R14 (0.56) CXCR3MEN1KMT2ATAS2R14PTGES
SCHEMBL14025406 0.79 CNR2 (0.53) CXCR3MEN1KMT2ATAS2R14CNR2
SCHEMBL556793 0.78 MEN1 (0.64) MEN1KMT2AMAPT
SCHEMBL4918645 0.78 CA12 (0.56) MEN1KMT2ATAS2R14CNR2MAPT
SCHEMBL4743380 0.77 TAS2R14 (0.54) CXCR3MEN1KMT2ATAS2R14CNR2
Hydrochloric Acid SCHEMBL30321036 0.77 L3MBTL1 (0.64) MEN1KMT2AMAPT

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 CXCR3 248/4885MEN1 173/4885KMT2A 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.