SCHEMBL19782876

SCHEMBL19782876

CCOC(=O)CC(Br)C(=O)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
LMNA P02545 3/20 0.48
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 1/20 0.43
MITF O75030 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 2/20 0.42
ALDH3A1 P30838 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL19782386 0.86 GSK3B (0.51) GSK3BLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL8190351 0.81 GSK3B (0.58) GSK3BLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL29601272 0.81 GSK3B (0.58) GSK3BLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL29601629 0.81 GSK3B (0.66) GSK3BLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL15993270 0.81 GSK3B (0.66) GSK3BLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL19782864 0.80 GSK3B (0.57) GSK3BLMNAALDH1A1KDM4EL3MBTL1
Bromide SCHEMBL15993360 0.80 GSK3B (0.57) GSK3BLMNAALDH1A1KDM4EL3MBTL1
Bromide SCHEMBL29938709 0.80 GSK3B (0.57) GSK3BLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL4884948 0.78 BRD4 (0.41) LMNAALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL13240400 0.78 KMT2A (0.51) LMNAALDH1A1MAPTSMN1; SMN2KMT2A

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-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
EP-3481810-A1 SUBSTITUTED AMINOTHIAZOLES Baruch S. Blumberg Institute (US) 2019-05-15 EP disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 WO disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 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 (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-10913734-B2 Substituted aminothiazoles ABAT, AADAT, BCAT1 GSK3B 4538/4885LMNA 3743/4885ALDH1A1 571/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 GSK3B 4538/4885LMNA 3743/4885ALDH1A1 571/4885

“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.