SCHEMBL30012431

SCHEMBL30012431

C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.61
NAAA Q02083 5/20 0.43
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 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
SCHEMBL17452287 1.00 KCNQ2 (0.61) KCNQ2NAAAMAPTMEN1KMT2A
SCHEMBL30010861 0.89 KCNQ2 (0.58) KCNQ2NAAAMAPTMEN1KMT2A
SCHEMBL24347102 0.89 KCNQ2 (0.58) KCNQ2NAAAMAPTMEN1KMT2A
SCHEMBL17452291 0.89 KCNQ2 (0.58) KCNQ2NAAAMAPTMEN1KMT2A
SCHEMBL30012315 0.89 KCNQ2 (0.58) KCNQ2NAAAMAPTMEN1KMT2A
SCHEMBL21172790 0.88 KCNQ2 (0.62) KCNQ2NAAAGAAALDH1A1IDO1
SCHEMBL21173172 0.88 KCNQ2 (0.62) KCNQ2NAAAGAAALDH1A1IDO1
SCHEMBL18798155 0.87 KCNQ2 (0.61) KCNQ2NAAAGAAALDH1A1IDO1
SCHEMBL30011456 0.87 KCNQ2 (0.61) KCNQ2NAAAGAAALDH1A1IDO1
SCHEMBL16061486 0.87 KCNQ2 (0.61) KCNQ2NAAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040299-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2023-02-09 US disclosed
US-11478478-B2 2,3-disubstituted 1-acyl-4-amino-1,2,3,4-tetrahydroquinoline derivatives and their use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2022-10-25 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 (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-20230040299-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 KCNQ2 244/4885NAAA 120/4885MAPT 1231/4885
US-11478478-B2 2,3-disubstituted 1-acyl-4-amino-1,2,3,4-tetrahydroquinoline derivatives and their use as bromodomain inhibitors BRD4, BRD3, BRD2 KCNQ2 244/4885NAAA 120/4885MAPT 1231/4885

“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.