SCHEMBL23022883

SCHEMBL23022883

Brc1ccc(CC2(NCc3ccccc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KDM1A O60341 3/20 0.43
RCOR1 Q9UKL0 1/20 0.42
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ADRB2 P07550 1/20 0.38
HTT P42858 1/20 0.38
APP P05067 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL23023159 0.91 MAOA (0.47) KDM1AMAOAMAOBHDAC3HDAC1
SCHEMBL23023104 0.85 PLA2G1B (0.47) KDM1ARCOR1BCHEACHEBACE1
SCHEMBL23023203 0.81 GAA (0.47) KDM1ABCHEACHEBACE1MAOA
SCHEMBL31484702 0.80 MAOA (0.46) KDM1ABACE1MAOAMAOBHDAC3
SCHEMBL5737215 0.76 KDM1A (0.43) L3MBTL1KDM1ABCHEACHEBACE1
SCHEMBL29360870 0.75 MAOA (0.38) MAOAMAOBALDH1A1ADRB2HTT
SCHEMBL6132831 0.74 IDO1 (0.45) KDM1AALDH1A1MEN1KMT2AMAPT
SCHEMBL28357678 0.73 MEN1 (0.58) L3MBTL1KDM1ABCHEMAOAHDAC6
SCHEMBL1702723 0.72 ALDH1A1 (0.47) KDM1ABCHEALDH1A1HTTMEN1
SCHEMBL16040906 0.72 ADRB2 (0.44) L3MBTL1HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 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 (1 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 L3MBTL1 229/4885KDM1A 1628/4885RCOR1 1919/4885

“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.