SCHEMBL5494042

SCHEMBL5494042

NC(=O)Nn1cc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.40
CYP3A4 P08684 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
IKBKB O14920 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PARP1 P09874 4/20 0.35
PARP2 Q9UGN5 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
CAPN1 P07384 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MGAM O43451 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL29182430 0.84 HDAC8 (0.43) HDAC8GAAALDH1A1MAPTKDM4E
SCHEMBL4551914 0.83 HDAC8 (0.40) HDAC8GAAALDH1A1MAPTKDM4E
SCHEMBL20765108 0.79 GAA (0.42) HDAC8GAAALDH1A1MAPTKDM4E
SCHEMBL28271335 0.75 MEN1 (0.47) GAA
SCHEMBL5553027 0.73 HTT (0.47) HDAC8GAAALDH1A1MAPTKDM4E
SCHEMBL971386 0.73 SCN4A (0.40) HDAC8CYP3A4GAAALDH1A1MAPT
SCHEMBL28168689 0.71 HDAC8 (0.35) HDAC8ALDH1A1MAPTSMN1; SMN2HDAC3
SCHEMBL17999564 0.69 PARP1 (0.41) HDAC8GAAALDH1A1MAPTIKBKB
SCHEMBL475037 0.67 HDAC8 (0.43) HDAC8ALDH1A1MAPTKDM4EPARP1
SCHEMBL20765106 0.67 LMNA (0.46) HDAC8ALDH1A1KDM4EPARP1SMN1; SMN2

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-7303739-B2 Prodrugs for liver specific drug delivery METABASIS THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-20050101775-A1 Cyclic phosph(oramid)ate prodrugs having alcohol, amine, orthiol groups attached to phosphorus; camptothecins; pharmacodynamic half-life; diagnostic imaging CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2005-05-12 US disclosed
US-6752981-B1 CYCLIC PHOSPH(ORAMID)ATE PRODRUGS HAVING ALCOHOL, AMINE, ORTHIOL GROUPS ATTACHED TO THE PHOSPHORUS IN THE C3N2P OR C3O2P RING METABASIS THERAPEUTICS, INC. 2004-06-22 US disclosed
EP-1210354-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY Metabasis Therapeutics, Inc. (US) 2002-06-05 EP disclosed
WO-2001018013-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY METABASIS THERAPEUTICS, INC. (US) 2001-03-15 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-20050101775-A1 Cyclic phosph(oramid)ate prodrugs having alcohol, amine, orthiol groups attached to phosphorus; camptothecins; pharmacodynamic half-life; diagnostic imaging PYGL, PHOSPHO1, OAT HDAC8 4309/4885CYP3A4 94/4885GAA 2069/4885

“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.