SCHEMBL22060071

SCHEMBL22060071

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.60
ERCC4 Q92889 1/20 0.60
EPHX2 P34913 1/20 0.51
ITGB1 P05556 4/20 0.50
ITGA5 P08648 4/20 0.50
HDAC1 Q13547 1/20 0.49
PPID Q08752 2/20 0.49
PPIB P23284 1/20 0.49
PPIA P62937 1/20 0.49
PPIG Q13427 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ITGB3 P05106 3/20 0.48
ITGAV P06756 3/20 0.48
MME P08473 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
EPHX1 P07099 1/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL12131750 0.90 ERCC1 (0.70) ERCC1ERCC4HDAC1MMECA1
SCHEMBL18232464 0.85 TPSAB1 (0.61) ERCC1ERCC4HDAC1CA1CA2
SCHEMBL13169668 0.85 ERCC1 (0.60) ERCC1ERCC4ALDH1A1CA1CA2
SCHEMBL24558042 0.85 ERCC1 (0.64) ERCC1ERCC4HDAC1ALDH1A1KMT2A
SCHEMBL18887748 0.83 ERCC1 (0.67) ERCC1ERCC4HDAC1KMT2ATPSAB1
SCHEMBL22060015 0.83 ERCC1 (0.62) ERCC1ERCC4EPHX2HDAC1MME
SCHEMBL12757443 0.83 KMT2A (0.63) ERCC1ERCC4ALDH1A1KMT2AMEN1
SCHEMBL12134066 0.83 ERCC1 (0.62) ERCC1ERCC4HDAC1ALDH1A1MME
SCHEMBL13848262 0.82 ERCC1 (0.57) ERCC1ERCC4EPHX2HDAC1CA1
SCHEMBL21781976 0.82 ITGB1 (0.51) ERCC1ERCC4EPHX2ITGB1ITGA5

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-11129790-B2 Chemo-enzymatic site-specific modification of peptides and proteins to form cleavable conjugates NORTHEASTERN UNIVERSITY (US) 2021-09-28 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ERCC1 2685/4885ERCC4 1558/4885EPHX2 6/4885
US-11129790-B2 Chemo-enzymatic site-specific modification of peptides and proteins to form cleavable conjugates GLUL, QPCT, DNPEP ERCC1 1634/4885ERCC4 2635/4885EPHX2 1840/4885

“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.