SCHEMBL4922018

SCHEMBL4922018

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
CHRM2 P08172 1/20 0.51
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 4/20 0.49
BRD4 O60885 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GALR3 O60755 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.45

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 0.92 HRH3 (0.69) HRH3CHRM2ALDH1A1GAAPKM
SCHEMBL4882465 0.91 HRH3 (0.71) HRH3CHRM2ALDH1A1KDM4EMEN1
SCHEMBL4914906 0.89 HRH3 (0.54) HRH3CHRM2ALDH1A1BRD4GAA
SCHEMBL4743824 0.89 KMT2A (0.58) HRH3CHRM2NPC1RAB9AALDH1A1
SCHEMBL4926858 0.89 HRH3 (0.56) HRH3CHRM2ALDH1A1BRD4GAA
SCHEMBL14025613 0.89 HRH3 (0.48) HRH3CHRM2NPC1TP53HPGD
SCHEMBL4923877 0.81 LMNA (0.51) CHRM2ALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL14025657 0.80 HRH3 (0.58) HRH3CHRM2ALDH1A1GAAMEN1
SCHEMBL14025645 0.80 HRH3 (0.60) HRH3CHRM2ALDH1A1GAAMEN1
SCHEMBL14287702 0.79 HRH3 (0.78) HRH3NPC1TP53HPGDRAB9A

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 4334/4885NPC1 407/4885

“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.