SCHEMBL4926596

SCHEMBL4926596

COCCN1CCN(C(=O)CN(C)Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
BCHE P06276 5/20 0.46
SIGMAR1 Q99720 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
DRD2 P14416 1/20 0.41
KCNA5 P22460 1/20 0.41
DRD3 P35462 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
SCHEMBL14025805 0.77 HRH2 (0.47) NAMPTNPC1RAB9AHDAC3HDAC1
SCHEMBL4922041 0.76 KMT2A (0.52) ACHEBCHESIGMAR1MEN1KMT2A
SCHEMBL14068428 0.74 MEN1 (0.59) ACHESIGMAR1MEN1KMT2ARAB9A
SCHEMBL4741844 0.73 KMT2A (0.65) ACHEMEN1KMT2ARAB9AHDAC3
SCHEMBL20236441 0.72 LTB4R2 (0.44) SIGMAR1KMT2ANAMPTNPC1RAB9A
SCHEMBL20236831 0.70 ALDH1A1 (0.47) MEN1KMT2ANAMPTDRD2KCNA5
SCHEMBL22218489 0.69 NAMPT (0.44) KMT2ANAMPTNPC1RAB9AHDAC1
SCHEMBL14025829 0.69 HDAC1 (0.46) ACHEMEN1KMT2AHDAC3HDAC1
SCHEMBL4743853 0.69 KMT2A (0.55) ACHEBCHEMEN1KMT2AHDAC3
SCHEMBL3276606 0.68 HPGD (0.71) KMT2ANAMPTDRD2KCNA5DRD3

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 ACHE 4153/4885BCHE 3011/4885SIGMAR1 4559/4885

“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.