SCHEMBL4882465

SCHEMBL4882465

CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CN3CCCCC3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.71
CHRM2 P08172 1/20 0.54
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
TSHR P16473 1/20 0.52
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
ADAM17 P78536 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GALR3 O60755 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 1/20 0.46
RAD52 P43351 1/20 0.46

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
SCHEMBL4787282 0.99 HRH3 (0.69) HRH3CHRM2KMT2AALDH1A1MAPT
SCHEMBL4922018 0.91 HRH3 (0.57) HRH3CHRM2KMT2AALDH1A1MAPT
SCHEMBL4926858 0.90 HRH3 (0.56) HRH3CHRM2KMT2AALDH1A1MAPT
SCHEMBL4743824 0.90 KMT2A (0.58) HRH3CHRM2KMT2AALDH1A1MAPT
SCHEMBL14025645 0.88 HRH3 (0.60) HRH3CHRM2KMT2AALDH1A1MAPT
SCHEMBL4914906 0.88 HRH3 (0.54) HRH3CHRM2KMT2AALDH1A1MAPT
SCHEMBL14025657 0.87 HRH3 (0.58) HRH3CHRM2KMT2AALDH1A1MAPT
SCHEMBL3576962 0.84 HRH3 (1.00) HRH3CHRM2TSHRACHERAD52
SCHEMBL4923877 0.82 LMNA (0.51) CHRM2KMT2AALDH1A1MAPTMEN1
SCHEMBL14025613 0.80 HRH3 (0.48) HRH3CHRM2KMT2AALDH1A1MAPT

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 HRH3 2289/4885CHRM2 4334/4885KMT2A 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.