SCHEMBL12252575

SCHEMBL12252575

CC(=O)NCc1ccc(C(=O)OC(=O)c2ccc(CNC(C)=O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.68
HDAC1 Q13547 8/20 0.64
HDAC6 Q9UBN7 2/20 0.64
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 1/20 0.62
HDAC2 Q92769 7/20 0.54
HDAC3 O15379 6/20 0.54
HDAC8 Q9BY41 6/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
VHL P40337 1/20 0.48
HTT P42858 1/20 0.48
LOXL2 Q9Y4K0 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
SCHEMBL12303979 0.89 KMT2A (0.55) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL5357067 0.89 KMT2A (0.68) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL9125949 0.84 HTT (0.67) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL12133623 0.84 KMT2A (0.76) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL19682558 0.83 KMT2A (0.60) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL5987974 0.82 KMT2A (0.75) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL5374862 0.81 KMT2A (1.00) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL28283361 0.80 KMT2A (0.57) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL885068 0.80 KMT2A (0.66) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL11132201 0.79 KMT2A (0.70) KMT2AHDAC1HDAC6ALDH1A1POLB

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-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 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-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF OGG1, UNG, MPG KMT2A 707/4885HDAC1 1945/4885HDAC6 3207/4885

“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.