SCHEMBL14025829

SCHEMBL14025829

COCCC(NCOC)C(=O)CN(C)Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.46
HDAC6 Q9UBN7 7/20 0.46
HDAC3 O15379 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ACHE P22303 1/20 0.41
CTSS P25774 3/20 0.41
CTSL P07711 2/20 0.41
CTSK P43235 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL14068428 0.76 MEN1 (0.59) HDAC1HDAC6HDAC3HDAC7HDAC10
SCHEMBL4922041 0.76 KMT2A (0.52) HDAC1HDAC6HDAC3HDAC7HDAC10
SCHEMBL4741844 0.73 KMT2A (0.65) HDAC1HDAC6HDAC3HDAC7HDAC10
SCHEMBL14025827 0.69 KDM4E (0.59) HDAC1HDAC6HDAC3HDAC7HDAC10
SCHEMBL4926596 0.69 ACHE (0.46) HDAC1HDAC6HDAC3HDAC7HDAC10
SCHEMBL4743853 0.69 KMT2A (0.55) HDAC1HDAC6HDAC3HDAC7HDAC10
SCHEMBL10758642 0.67 PTPN1 (0.59) KMT2ACTSSCTSLCTSKKDM4E
SCHEMBL10758650 0.67 PTPN1 (0.59) KMT2ACTSSCTSLCTSKKDM4E
SCHEMBL8359492 0.67 KMT2A (0.76) HDAC1HDAC6HDAC3HDAC7HDAC10
SCHEMBL28778943 0.65 TDP1 (0.69) KMT2AMEN1ACHECTSSCTSK

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 2 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

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 HDAC1 703/4885HDAC6 1192/4885HDAC3 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.