SCHEMBL19782864

SCHEMBL19782864

CCOCC(Br)C(=O)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.57
NPC1 O15118 4/20 0.45
PKM P14618 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MITF O75030 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
GRM4 Q14833 2/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.40
PAX8 Q06710 1/20 0.40
ACACB O00763 1/20 0.39

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
SCHEMBL15993270 0.83 GSK3B (0.66) GSK3BNPC1PKMRAB9AKDM4E
SCHEMBL29601629 0.83 GSK3B (0.66) GSK3BNPC1PKMRAB9AKDM4E
SCHEMBL19782876 0.80 GSK3B (0.54) GSK3BNPC1PKMRAB9AKDM4E
SCHEMBL19782386 0.78 GSK3B (0.51) GSK3BNPC1PKMRAB9AKDM4E
SCHEMBL8190351 0.78 GSK3B (0.58) GSK3BNPC1PKMRAB9AKDM4E
SCHEMBL29601272 0.78 GSK3B (0.58) GSK3BNPC1PKMRAB9AKDM4E
SCHEMBL15993216 0.77 GSK3B (0.57) GSK3BNPC1PKMRAB9AKDM4E
Bromide SCHEMBL15993360 0.77 GSK3B (0.57) GSK3BNPC1PKMRAB9AKDM4E
Bromide SCHEMBL29938709 0.77 GSK3B (0.57) GSK3BNPC1PKMRAB9AKDM4E
SCHEMBL15993028 0.75 GSK3B (0.55) GSK3BNPC1RAB9AKDM4EALDH1A1

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 3 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
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 4538/4885NPC1 3588/4885PKM 2991/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 GSK3B 4538/4885NPC1 3588/4885PKM 2991/4885

“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.