SCHEMBL24049366

SCHEMBL24049366

COc1ccc(OCC2c3ccsc3CCN2C(=O)c2ccco2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
MAPK1 P28482 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
HPGD P15428 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPT P10636 1/20 0.55
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GRIN2C Q14957 2/20 0.52
HHAT Q5VTY9 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
SCHEMBL26065095 0.91 TSHR (0.55) TSHRMAPK1MEN1KMT2AHPGD
SCHEMBL10063321 0.82 TSHR (0.88) TSHRMAPK1MEN1KMT2AHPGD
SCHEMBL24049372 0.80 GRIN2C (0.75) GRIN2C
SCHEMBL24049370 0.78 GRIN2C (0.50) GRIN2CHHAT
SCHEMBL24049344 0.72 GRIN2C (0.58) GRIN2C
SCHEMBL24049115 0.72 GRIN2C (0.56) GRIN2C
SCHEMBL26065070 0.71 GRIN2C (0.62) GRIN2C
SCHEMBL26065092 0.71 HHAT (0.48) GRIN2CHHAT
SCHEMBL7892123 0.69 GRIN2C (1.00) HTTGRIN2C
SCHEMBL7891790 0.68 POLB (0.69) MAPK1MEN1KMT2ANPSR1HHAT

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-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators UNIV EMORY (US) 2023-11-09 US disclosed
US-11738008-B2 N-methyl-D-aspartic acid receptor modulators EMORY UNIVERSITY (US) 2023-08-29 US disclosed
US-20210361631-A1 N-methyl-D-aspartic Acid Receptor Modulators UNIV EMORY (US) 2021-11-25 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 (3 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-20210361631-A1 N-methyl-D-aspartic Acid Receptor Modulators GRIN1, GRIN2A, GRM1 TSHR 794/4885MAPK1 1759/4885MEN1 3923/4885
US-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators GRIN1, GRIN2A, GRM1 TSHR 785/4885MAPK1 1706/4885MEN1 3916/4885
US-11738008-B2 N-methyl-D-aspartic acid receptor modulators GRIN1, GRIN2A, GRM1 TSHR 794/4885MAPK1 1759/4885MEN1 3923/4885

“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.