SCHEMBL4323915

SCHEMBL4323915

CC(=O)c1cccc(B(O)ON)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAOB P27338 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
KIF11 P52732 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL29581421 0.84 ALDH1A1 (0.42) ALDH1A1MAOBMEN1KMT2ARAB9A
SCHEMBL393305 0.80 SLC7A5 (0.48) ALDH1A1TDP1
SCHEMBL105228 0.80 ENPP2 (0.48) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL28018484 0.79 AKT1 (0.46) ALDH1A1MAOBMEN1KMT2AHPGD
SCHEMBL20221426 0.78 ALDH1A1 (0.46) ALDH1A1MAOBMEN1KMT2ARAB9A
SCHEMBL6647903 0.76 TSHR (0.45) MEN1KMT2ALMNATDP1SMN1; SMN2
Acetic Acid SCHEMBL29130478 0.76 ORAI1 (0.41) ALDH1A1HPGDTDP1SMN1; SMN2L3MBTL1
SCHEMBL26345899 0.74 ACHE (0.42) ALDH1A1NPC1LMNACYP1A2MAPK1
SCHEMBL27903456 0.73 MAOB (0.49) ALDH1A1MAOBMEN1KMT2ARAB9A
SCHEMBL522374 0.72 ENPP2 (0.43) ALDH1A1LMNASMN1; SMN2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7087622-B2 Pyridone compounds as inhibitors of bacterial type III protein secreation systems JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
WO-2005110988-A1 PYRIDONE COMPOUNDS AS INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-24 WO disclosed
US-20050256137-A1 Pyridone compounds as inhibitors of bacterial type III protien secreation systems JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-17 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-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS ALDH1A1 214/4885MAOB 749/4885MEN1 4572/4885
US-20050256137-A1 Pyridone compounds as inhibitors of bacterial type III protien secreation systems PROC, PSMB3, PANK3 ALDH1A1 4777/4885MAOB 1496/4885MEN1 3331/4885

“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.