SCHEMBL15401706

SCHEMBL15401706

NC(=O)/C=C/c1nc(-c2ccccc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 7/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
LMNA P02545 6/20 0.48
HTT P42858 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
ATP4A P20648 1/20 0.48
ATP4B P51164 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
KDM4E B2RXH2 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP3A4 P08684 1/20 0.46
GSTO1 P78417 1/20 0.46
CSNK2A1 P68400 1/20 0.45

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
SCHEMBL15401707 1.00 PARP1 (0.49) PARP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4573806 0.86 ALDH1A1 (0.53) PARP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3650974 0.85 RAB9A (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3650972 0.85 RAB9A (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL21495126 0.85 RAB9A (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16402070 0.77 MAPT (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7464979 0.76 ALDH1A1 (0.49) PARP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2224538 0.75 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7271817 0.75 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7271819 0.75 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA

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
EP-3424912-B1 2-AMINOTHIAZOLE DERIVATIVES, PREPARATION AND USE THEREOF UNIV HUAZHONG SCIENCE TECH (CN) 2022-09-07 EP disclosed
EP-3424912-A1 2-AMINOTHIAZOLE DERIVATIVES FOR MEDICAL USE Huazhong University of Science and Technology (CN) 2019-01-09 EP disclosed
US-9771340-B2 2-aminothiazole derivatives and methods of preparing and using the same WUHAN INNAMUNE PHARMACEUTICAL CO., LTD. (CN) 2017-09-26 US disclosed
EP-2682390-A1 2-AMINOTHIAZOLE DERIVATIVE, PREPARATION METHOD, AND USE Huazhong University of Science and Technology (CN) 2014-01-08 EP disclosed
US-20140004155-A1 2-AMINOTHIAZOLE DERIVATIVES AND METHODS OF PREPARING AND USING THE SAME HANGZHOU ZHONGMEI HUADONG PHARMACEUTICAL CO., LTD. (CN) 2014-01-02 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-20140004155-A1 2-AMINOTHIAZOLE DERIVATIVES AND METHODS OF PREPARING AND USING THE SAME CCNT1, CCNE1, CCNT2 PARP1 1672/4885ALDH1A1 1313/4885MAPT 1485/4885

“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.