SCHEMBL4787282

SCHEMBL4787282

CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CN3CCCC3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.69
CHRM2 P08172 1/20 0.55
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.50
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GALR3 O60755 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
CACNA1B Q00975 1/20 0.46
LTA4H P09960 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
SCHEMBL4882465 0.99 HRH3 (0.71) HRH3CHRM2ALDH1A1KMT2AMEN1
SCHEMBL4922018 0.92 HRH3 (0.57) HRH3CHRM2ALDH1A1KMT2AMEN1
SCHEMBL4926858 0.91 HRH3 (0.56) HRH3CHRM2ALDH1A1KMT2AMEN1
SCHEMBL4743824 0.91 KMT2A (0.58) HRH3CHRM2ALDH1A1KMT2AMEN1
SCHEMBL4914906 0.89 HRH3 (0.54) HRH3CHRM2ALDH1A1KMT2AMEN1
SCHEMBL14025657 0.88 HRH3 (0.58) HRH3CHRM2ALDH1A1KMT2AMEN1
SCHEMBL14025645 0.87 HRH3 (0.60) HRH3CHRM2ALDH1A1KMT2AMEN1
SCHEMBL3576962 0.83 HRH3 (1.00) HRH3CHRM2TSHR
SCHEMBL4923877 0.82 LMNA (0.51) CHRM2ALDH1A1KMT2AMEN1MAPT
SCHEMBL14025613 0.81 HRH3 (0.48) HRH3CHRM2ALDH1A1KMT2AMEN1

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 4334/4885ALDH1A1 423/4885

“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.