SCHEMBL4914906

SCHEMBL4914906

CCN(CC)CCOc1ccc(NS(=O)(=O)c2ccc(CN3CCN(C(C)C)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
CHRM2 P08172 1/20 0.53
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GALR3 O60755 1/20 0.44
MAPT P10636 2/20 0.43
CACNA1B Q00975 2/20 0.42
GLA P06280 1/20 0.42
CACNA1H O95180 1/20 0.42
BRD4 O60885 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4922018 0.89 HRH3 (0.57) HRH3CHRM2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL4787282 0.89 HRH3 (0.69) HRH3CHRM2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL14025608 0.89 HRH3 (0.46) HRH3CHRM2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL4882465 0.88 HRH3 (0.71) HRH3CHRM2ALDH1A1KMT2AMEN1
SCHEMBL4743824 0.87 KMT2A (0.58) HRH3CHRM2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL4926858 0.87 HRH3 (0.56) HRH3CHRM2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL14025613 0.79 HRH3 (0.48) HRH3CHRM2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL4923877 0.78 LMNA (0.51) CHRM2ALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL14025657 0.78 HRH3 (0.58) HRH3CHRM2ALDH1A1GAAKMT2A
SCHEMBL14025645 0.77 HRH3 (0.60) HRH3CHRM2ALDH1A1GAAKMT2A

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 4 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

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.