SCHEMBL454679

SCHEMBL454679

[CH2]c1ccc(N(C)C)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.38
GAA P10253 3/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APP P05067 1/20 0.32
ALDH1A3 P47895 2/20 0.32
CRHR1 P34998 1/20 0.31
MAPK1 P28482 1/20 0.31
CCR5 P51681 1/20 0.30
ALDH3A1 P30838 1/20 0.30

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
SCHEMBL5641717 0.78 GAA (0.35) ALDH1A1TSHRHSD17B10MAPTGAA
SCHEMBL9566865 0.76 ALOX15 (0.42) ALDH1A1TSHRHSD17B10MAPTGAA
SCHEMBL8644984 0.74 CRHR1 (0.46) ALDH1A1TSHRHSD17B10MAPTKMT2A
SCHEMBL15281583 0.74 MAPT (0.42) ALDH1A1TSHRHSD17B10MAPTGAA
SCHEMBL2881758 0.74 ESR1 (0.40) MAPTGAAKMT2AKDM4ECRHR1
SCHEMBL31418072 0.73 MCL1 (0.46) ALDH1A1TSHRHSD17B10MAPTGAA
SCHEMBL30219577 0.73 CRHR1 (0.41) ALDH1A1TSHRHSD17B10MAPTGAA
SCHEMBL9408684 0.73 GAA (0.32) MAPTGAAKMT2AMAPK1
SCHEMBL1932115 0.73 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10MAPTGAA
SCHEMBL27449226 0.73 GAA (0.55) ALDH1A1TSHRHSD17B10MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987317-B2 Inhibition of glutaminase C CORNELL UNIVERSITY (US) 2021-04-27 US disclosed
US-20200206149-A1 INHIBITION OF GLUTAMINASE C UNIV CORNELL (US) 2020-07-02 US disclosed
US-20130252983-A1 ACTIVATING PHOSPHORYLATION SITE ON GLUTAMINASE C CORNELL UNIVERSITY (US) 2013-09-26 US disclosed
US-20120220610-A1 INHIBITIONS OF GLUTAMINASE C CORNELL UNIVERSITY (US) 2012-08-30 US disclosed
WO-2012034123-A1 ACTIVATING PHOSPHORYLATION SITE ON GLUTAMINASE C CORNELL UNIVERSITY (US) 2012-03-15 WO disclosed
WO-2010111504-A2 INHIBITION OF GLUTAMINASE C CORNELL UNIVERSITY (US) 2010-09-30 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 (4 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-20130252983-A1 ACTIVATING PHOSPHORYLATION SITE ON GLUTAMINASE C GLS, GLUL, GLS2 ALDH1A1 2732/4885TSHR 3870/4885HSD17B10 3036/4885
US-20200206149-A1 INHIBITION OF GLUTAMINASE C GLS, GLS2, GLUL ALDH1A1 865/4885TSHR 3590/4885HSD17B10 769/4885
US-20120220610-A1 INHIBITIONS OF GLUTAMINASE C GLS, GLS2, GLUL ALDH1A1 960/4885TSHR 3566/4885HSD17B10 731/4885
US-10987317-B2 Inhibition of glutaminase C GLS, GLS2, GLUL ALDH1A1 865/4885TSHR 3590/4885HSD17B10 769/4885

“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.