SCHEMBL19682898

SCHEMBL19682898

CC(=O)NCc1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
EPHX2 P34913 1/20 0.63
NR1H4 Q96RI1 1/20 0.63
HDAC1 Q13547 8/20 0.62
HDAC6 Q9UBN7 2/20 0.62
ALDH1A1 P00352 5/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
HDAC2 Q92769 7/20 0.53
HDAC3 O15379 6/20 0.53
ACACB O00763 1/20 0.50
HDAC8 Q9BY41 6/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
HPGD P15428 3/20 0.47

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
SCHEMBL23471131 0.83 KMT2A (0.62) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL12133623 0.82 KMT2A (0.76) KMT2AHDAC1HDAC6ALDH1A1POLB
SCHEMBL19634692 0.82 KMT2A (0.57) KMT2AEPHX2NR1H4HDAC1HDAC6
SCHEMBL22927824 0.81 EPHX2 (0.58) KMT2AEPHX2NR1H4HDAC1HDAC6
SCHEMBL19634440 0.81 EPHX2 (0.58) KMT2AEPHX2NR1H4HDAC1HDAC6
SCHEMBL21015472 0.81 EPHX2 (0.67) KMT2AEPHX2NR1H4HDAC1HDAC6
SCHEMBL5987974 0.81 KMT2A (0.75) KMT2AEPHX2NR1H4HDAC1HDAC6
SCHEMBL19634702 0.80 HDAC1 (0.52) KMT2AEPHX2NR1H4HDAC1HDAC6
SCHEMBL19634448 0.80 KMT2A (0.58) KMT2AEPHX2NR1H4HDAC1HDAC6
SCHEMBL11618011 0.80 EPHX2 (0.56) KMT2AEPHX2NR1H4ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954316-B2 Method for cleaving amide bonds Galderma Holding SA (CH) 2021-03-23 US disclosed
US-10954316-B2 Method for cleaving amide bonds Galderma Holding SA (CH) 2021-03-23 US disclosed
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) 2020-06-04 US disclosed
WO-2017207564-A1 METHOD FOR CLEAVING AMIDE BONDS GALDERMA S.A. (CH) 2017-12-07 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-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE NR1H4, NR1H3, NR1H2 KMT2A 3284/4885EPHX2 6/4885NR1H4 1/4885

“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.