SCHEMBL21844358

SCHEMBL21844358

Cc1cccc(COc2ccccc2CNCc2ccccc2OCc2cccc(C)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
HTR1A P08908 2/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
LMNA P02545 3/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BCHE P06276 1/20 0.51
SLC1A5 Q15758 1/20 0.50
TRPV6 Q9H1D0 1/20 0.49
ABCB1 P08183 1/20 0.49
DRD2 P14416 1/20 0.49

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
Hydrochloric Acid SCHEMBL27582475 0.87 GAA (0.52) GAAHTR1AADRA1DADRA1AADRA1B
SCHEMBL20257761 0.84 SLC1A5 (0.55) GAAHTR1AADRA1DADRA1AADRA1B
SCHEMBL23004958 0.83 SLC1A5 (0.54) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL5644007 0.83 SLC1A5 (0.54) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL19199219 0.82 MAPT (0.51) GAAHTR1AADRA1DADRA1AADRA1B
SCHEMBL29278968 0.80 SLC1A5 (0.68) GAALMNASLC1A5
SCHEMBL29278966 0.80 SLC1A5 (0.68) GAALMNASLC1A5
SCHEMBL9625890 0.79 MAPT (0.55) HTR1AADRA1DADRA1AADRA1BLMNA
SCHEMBL8283224 0.79 FFAR4 (0.56) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL16579424 0.77 CFD (0.54) GAAHTR1AADRA1DADRA1AADRA1B

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
WO-2024010732-A1 SMALL MOLECULE INHIBITORS OF GLUTAMINE TRANSPORTER ASCT2 AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-01-11 WO disclosed
US-10793514-B2 Glutamine transport inhibitors and methods for treating cancer VANDERBILT UNIVERSITY (US) 2020-10-06 US disclosed
US-20200095190-A1 Glutamine Transport Inhibitors and Methods for Treating Cancer VANDERBILT UNIVERSITY 2020-03-26 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-20200095190-A1 Glutamine Transport Inhibitors and Methods for Treating Cancer SLC1A5, SLC7A11, SLC3A2 GAA 1063/4885HTR1A 3872/4885ADRA1D 4250/4885
US-10793514-B2 Glutamine transport inhibitors and methods for treating cancer SLC1A5, SLC7A11, SLC3A2 GAA 1063/4885HTR1A 3872/4885ADRA1D 4250/4885

“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.