SCHEMBL2228950

SCHEMBL2228950

COC(=O)c1cccc(N2N=C(C)CC2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
KMT2A Q03164 6/20 0.60
GAA P10253 5/20 0.60
KDM4E B2RXH2 4/20 0.60
APP P05067 5/20 0.56
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 5/20 0.56
TDP1 Q9NUW8 4/20 0.56
TSHR P16473 2/20 0.56
CYP1A2 P05177 1/20 0.56
CHRM2 P08172 1/20 0.56
CYP3A4 P08684 1/20 0.56
CHRM1 P11229 1/20 0.56
PTGS1 P23219 1/20 0.56
DRD3 P35462 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.52

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
SCHEMBL29389131 0.87 GAA (0.58) MAPTKMT2AGAAKDM4EAPP
SCHEMBL19644103 0.87 GAA (0.58) MAPTKMT2AGAAKDM4EAPP
SCHEMBL14338573 0.86 ALDH1A1 (0.50) MAPTKMT2AGAAKDM4EAPP
SCHEMBL2854377 0.85 MAPT (0.65) MAPTKMT2AGAAKDM4EAPP
SCHEMBL2221283 0.85 KMT2A (0.71) MAPTKMT2AGAAKDM4EAPP
SCHEMBL14338570 0.85 GAA (0.50) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL5469961 0.84 GAA (0.53) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL5455100 0.84 GAA (0.50) MAPTKMT2AGAAKDM4EALDH1A1
SCHEMBL14991191 0.83 APP (0.59) MAPTKMT2AGAAKDM4EAPP
SCHEMBL5470613 0.83 GAA (0.48) MAPTKMT2AGAAKDM4EALDH1A1

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-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 US disclosed
US-9005670-B2 Use of histone acetyltransferase inhibitors as novel anti-cancer therapies THE JOHNS HOPKINS UNIVERSITY (US) 2015-04-14 US disclosed
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2013-06-06 US disclosed
US-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2013-06-06 US disclosed
WO-2011085039-A2 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-14 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-20130142887-A1 USE OF HISTONE ACETYLTRANSFERASE INHIBITORS AS NOVEL ANTI-CANCER THERAPIES EP300, HDAC1, KAT2A MAPT 2346/4885KMT2A 60/4885GAA 1800/4885

“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.