SCHEMBL17550122

SCHEMBL17550122

N#Cc1c(-c2ccccc2)nc(NCc2ccccc2)[nH]c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.72
▸ ALDH1A1 P00352 5/20 0.60
▸ HPGD P15428 4/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ ACMSD Q8TDX5 1/20 0.60
▸ XDH P47989 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ PPARG P37231 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ NCOR2 Q9Y618 1/20 0.55
▸ POLB P06746 4/20 0.55
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ TNF P01375 1/20 0.52
▸ PLA2G1B P04054 1/20 0.52
▸ NOD2 Q9HC29 1/20 0.52
▸ NOD1 Q9Y239 1/20 0.52
▸ ATG4B Q9Y4P1 1/20 0.52

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
SCHEMBL17550124 0.87 BRD4 (0.60) BRD4ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL17550128 0.87 ACMSD (0.67) BRD4ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL29272632 0.84 BRD4 (0.81) BRD4ALDH1A1HPGDKDM4EPOLB
SCHEMBL17550136 0.77 ALDH1A1 (0.62) ALDH1A1HPGDCYP1A2CYP2C9ACMSD
SCHEMBL17550130 0.77 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2CYP2C9ACMSD
SCHEMBL17550129 0.76 ALDH1A1 (0.60) BRD4ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL12856322 0.76 XDH (0.62) BRD4ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL8216677 0.76 XDH (0.55) ALDH1A1HPGDXDHKDM4EPOLB
SCHEMBL19665221 0.76 HPGD (1.00) ALDH1A1HPGDCYP1A2CYP2C9ACMSD
SCHEMBL16772399 0.75 ACMSD (0.59) ALDH1A1HPGDCYP1A2CYP2C9ACMSD

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
US-11254644-B2 Inhibitors of alpha-amino-beta-carboxymuconic acid semialdehyde decarboxylase TES PHARMA S.R.L. (IT) 2022-02-22 — — US 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-20200207721-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2020-07-02 — — US 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-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 (4 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-20200207721-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 BRD4 3830/4885ALDH1A1 171/4885HPGD 59/4885
US-20160060226-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 BRD4 3830/4885ALDH1A1 171/4885HPGD 59/4885
US-20170362185-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 BRD4 3830/4885ALDH1A1 171/4885HPGD 59/4885
US-11254644-B2 Inhibitors of alpha-amino-beta-carboxymuconic acid semialdehyde decarboxylase ACMSD, GLS, ALDH7A1 BRD4 3830/4885ALDH1A1 171/4885HPGD 59/4885

“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.

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