SCHEMBL4741255

SCHEMBL4741255

COCCN(CCOC)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.53
MAPT P10636 3/20 0.50
CYP4A11 Q02928 2/20 0.49
HDAC6 Q9UBN7 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
CYP4F2 P78329 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC1 Q13547 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL1206463 0.85 HRH3 (0.55) LOXL2MAPTCYP4A11HDAC6HDAC8
SCHEMBL7471752 0.85 SMN1; SMN2 (0.56) LOXL2MAPTCYP4A11CYP4F2KDM4E
SCHEMBL7468445 0.85 CYP4A11 (0.58) LOXL2MAPTCYP4A11CYP4F2KDM4E
SCHEMBL4744604 0.85 MEP1B (0.51) HDAC6HDAC8ALDH1A1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL4802230 0.84 MEP1B (0.50) HDAC6HDAC8ALDH1A1NPC1SMN1; SMN2
SCHEMBL5068516 0.81 HDAC8 (0.65) LOXL2MAPTCYP4A11HDAC6HDAC8
SCHEMBL10995347 0.80 LPAR1 (0.50) LOXL2MAPTCYP4A11CYP4F2KDM4E
SCHEMBL15392053 0.80 MAPT (0.61) LOXL2MAPTCYP4A11KDM4EALDH1A1
SCHEMBL27220639 0.80 LOXL2 (0.56) LOXL2MAPTCYP4A11CYP4F2KDM4E
SCHEMBL10397250 0.80 MAPT (0.61) LOXL2MAPTCYP4A11KDM4EALDH1A1

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 LOXL2 3068/4885MAPT 1952/4885CYP4A11 815/4885

“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.