SCHEMBL17548482

SCHEMBL17548482

O=c1[nH]c(-c2cccc(CBr)c2)no1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE1C Q14123 1/20 0.42
PDE3A Q14432 1/20 0.42
PARP1 P09874 1/20 0.40
RARB P10826 2/20 0.39
RARG P13631 1/20 0.39
PLA2G2A P14555 1/20 0.38
ADH5 P11766 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
SCHEMBL481414 0.85 PARP1 (0.46) ALDH1A1ACMSDPDE5APDE1APDE1B
SCHEMBL22481024 0.80 PLA2G2A (0.49) ALDH1A1ACMSDPDE5APDE1APDE1B
SCHEMBL15059204 0.80 GRIK1 (0.46) ALDH1A1PDE5APDE1APDE1BPDE4D
SCHEMBL26162722 0.78 ALDH1A1 (0.51) ALDH1A1PLA2G2A
SCHEMBL2645918 0.78 ALDH1A1 (0.45) ALDH1A1PDE5APDE1APDE1BPDE4D
SCHEMBL2645921 0.76 PARP1 (0.45) ALDH1A1PDE5APDE1APDE1BPDE4D
SCHEMBL18603181 0.76 NOTUM (0.50) ALDH1A1PDE5APDE1APDE1BPDE4D
SCHEMBL4504146 0.76 ALDH1A1 (0.46) ALDH1A1PDE5APDE1APDE1BPDE4D
SCHEMBL10187496 0.76 ALDH1A1 (0.44) ALDH1A1PDE5APDE1APDE1BPDE4D
SCHEMBL8295573 0.76 NOTUM (0.50) ALDH1A1PDE5APDE1APDE1BPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023227666-A1 PYRIMIDINONE COMPOUNDS FOR TREATING ACUTE INFLAMMATION TES PHARMA S.R.L. (IT) 2023-11-30 WO disclosed
EP-3186242-B1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2021-10-06 EP disclosed
US-20170362185-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2017-12-21 US disclosed
US-9708272-B2 Inhibitors of α-amino-β-carboxymuconic acid semialdehyde decarboxylase TES PHARMA S.R.L. (IT) 2017-07-18 US disclosed
US-9708272-B2 Inhibitors of α-amino-β-carboxymuconic acid semialdehyde decarboxylase TES PHARMA S.R.L. (IT) 2017-07-18 US disclosed
US-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2016-03-03 US disclosed
US-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2016-03-03 US disclosed
WO-2016030534-A1 INHIBITORS OF α-AMINO-β-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2016-03-03 WO 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-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ALDH1A1 171/4885ACMSD 1/4885PDE5A 2062/4885
US-20170362185-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 ALDH1A1 171/4885ACMSD 1/4885PDE5A 2062/4885

“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.