SCHEMBL4741844

SCHEMBL4741844

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
HDAC1 Q13547 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
ACHE P22303 2/20 0.51
LPAR1 Q92633 2/20 0.50
LPAR5 Q9H1C0 2/20 0.50
RCE1 Q9Y256 1/20 0.50
RAB9A P51151 1/20 0.49
LTA4H P09960 1/20 0.48
PPARG P37231 1/20 0.48

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
SCHEMBL304452 0.87 RAB9A (0.55) KMT2AMEN1ACHERAB9ALTA4H
Potassium SCHEMBL6997235 0.85 RAB9A (0.53) KMT2AMEN1ACHERAB9ALTA4H
Hydrochloric Acid SCHEMBL5760483 0.85 RAB9A (0.53) KMT2AMEN1ACHERAB9ALTA4H
SCHEMBL14025827 0.83 KDM4E (0.59) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL8359492 0.83 KMT2A (0.76) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL4743853 0.82 KMT2A (0.55) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL17083316 0.80 TAAR1 (0.58) HDAC1LTA4H
SCHEMBL4922041 0.80 KMT2A (0.52) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL5190596 0.80 CTSS (0.59) KMT2AMEN1HDAC1HDAC6HDAC3
SCHEMBL1003508 0.79 HDAC1 (0.71) KMT2AMEN1HDAC1HDAC6HDAC3

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 173/4885HDAC1 703/4885

“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.