SCHEMBL4743853

SCHEMBL4743853

CN(CC(=O)OC(C)(C)C)Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC2 Q92769 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ACHE P22303 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LPAR1 Q92633 4/20 0.46
LPAR5 Q9H1C0 4/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.44

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
SCHEMBL4743834 0.85 LTA4H (0.46) ACHE
SCHEMBL4741844 0.82 KMT2A (0.65) KMT2AMEN1HDAC3HDAC1HDAC7
SCHEMBL4745367 0.80 KDM4E (0.47) KMT2AMEN1HDAC1HDAC6ACHE
SCHEMBL20339008 0.79 CTSL (0.48) KMT2AMEN1ACHECTSSCTSL
SCHEMBL782348 0.77 AKT1 (0.55) KMT2AMEN1L3MBTL1CTSSCTSL
SCHEMBL409765 0.77 S1PR1 (0.38) ACHEBCHE
SCHEMBL409764 0.77 S1PR1 (0.38) ACHEBCHE
SCHEMBL10170373 0.77 S1PR1 (0.38) ACHEBCHE
SCHEMBL2442141 0.76 SIGMAR1 (0.51)
SCHEMBL19567145 0.76 CTSL (0.55) KMT2AMEN1HDAC3HDAC1HDAC2

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 KMT2A 682/4885MEN1 173/4885HDAC3 2272/4885

“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.