SCHEMBL4745367

SCHEMBL4745367

COC(=O)c1ccc(CN(C)CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NOTUM Q6P988 1/20 0.43
RAB9A P51151 1/20 0.43
CYP4A11 Q02928 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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 0.86 LTA4H (0.46) ALDH1A1S1PR1ACHE
SCHEMBL8093055 0.84 HDAC1 (0.49) KDM4EALDH1A1LOXL2TSHRNPC1
SCHEMBL14375784 0.82 CASR (0.44) KDM4EALDH1A1LOXL2TSHRNPC1
SCHEMBL409764 0.80 S1PR1 (0.38) LMNATSHRNPC1GAAHSD17B10
SCHEMBL10170373 0.80 S1PR1 (0.38) LMNATSHRNPC1GAAHSD17B10
SCHEMBL4743853 0.80 KMT2A (0.55) MEN1KMT2AHDAC1HDAC6ACHE
SCHEMBL409765 0.80 S1PR1 (0.38) LMNATSHRNPC1GAAHSD17B10
SCHEMBL1935356 0.80 LOXL2 (0.49) KDM4EALDH1A1LOXL2TSHRNPC1
SCHEMBL2650122 0.79 LOXL2 (0.54) MEN1LMNAKMT2ALOXL2NPC1
SCHEMBL8227189 0.78 NOTUM (0.50) KDM4EALDH1A1MEN1LMNAKMT2A

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 KDM4E 532/4885ALDH1A1 423/4885MEN1 173/4885

“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.