SCHEMBL8533501

SCHEMBL8533501

Cc1ccc(NC(=O)CBr)cc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.76
ALDH1A1 P00352 6/20 0.63
GAA P10253 2/20 0.63
MAPT P10636 1/20 0.63
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
USP2 O75604 1/20 0.59
ALOX15 P16050 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL29688982 1.00 POLB (0.76) POLBALDH1A1GAAMAPTHDAC3
SCHEMBL2010056 0.86 POLB (1.00) POLBALDH1A1GAAMAPTHDAC3
SCHEMBL4003419 0.86 ALDH1A1 (0.69) POLBALDH1A1MAPTMEN1NPC1
SCHEMBL9300058 0.86 ALDH1A1 (0.59) POLBALDH1A1GAAMAPTHDAC3
SCHEMBL11667316 0.84 NPC1 (0.59) POLBALDH1A1GAAMAPTALOX15
SCHEMBL4004962 0.84 POLB (0.54) POLBALDH1A1GAAMAPTHDAC3
SCHEMBL13662282 0.83 POLB (0.79) POLBALDH1A1GAAMAPTHDAC3
SCHEMBL10741819 0.82 POLB (0.50) POLBALDH1A1GAAMAPTHDAC3
SCHEMBL5866568 0.82 ALDH1A1 (0.52) POLBALDH1A1RAB9AKMT2ANPSR1
SCHEMBL2639130 0.81 POLB (0.76) POLBALDH1A1GAAMAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240034727-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 Stingray Therapeutics, Inc. 2024-02-01 US disclosed
CN-116963733-A Imidazole compounds as ENPP1 inhibitors 斯汀格瑞治疗股份有限公司 2023-10-27 CN disclosed
EP-4255425-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 Stingray Therapeutics, Inc. (US) 2023-10-11 EP disclosed
CN-114409657-B 4-aryl (methyl) imidazoline quinoxalinone compound and preparation method and application thereof 湖南科技大学 2023-02-24 CN disclosed
WO-2022119928-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 Stingray Therapeutics, Inc. (US) 2022-06-09 WO disclosed
WO-2022119928-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 Stingray Therapeutics, Inc. (US) 2022-06-09 WO disclosed
CN-114409657-A 4-aryl (methyl) imidazoline quinoxalinone compound and preparation method and application thereof 湖南科技大学 2022-04-29 CN disclosed
US-5763608-A DEHYDRATION A N-ACYL BETA AMINO ACID TO FORM AN OXAZONE, ADDING A CARBOXYLIC ACID, DISTILLATION AND HEATING HOECHST CELANESE CORPORATION (US) 1998-06-09 US disclosed
US-5739330-A DEHYDRATING AN N-ACYL BETA AMINO ACID TO FORM OXAZONE, ADDING CARBOXYLIC ACID AND AMINE SALT, DISTILLING TO FORM QUINAZOLONE HOECHST CELANESE CORPORATION (US) 1998-04-14 US disclosed
WO-1997028118-A1 PROCESS FOR PREPARING ANTHRANILIC ACIDS HOECHST CELANESE CORPORATION (US) 1997-08-07 WO disclosed
WO-1997028132-A1 PROCESS FOR PREPARING PYRIMIDIN DERIVATIVES HOECHST CELANESE CORPORATION (US) 1997-08-07 WO disclosed
WO-1997028134-A1 PROCESS FOR PREPARING QUINAZOLONES HOECHST CELANESE CORPORATION (US) 1997-08-07 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 (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-20240034727-A1 IMIDAZOLE COMPOUNDS AS INHIBITORS OF ENPP1 ENPP1, PPP1R1B, PPM1B POLB 682/4885ALDH1A1 3887/4885GAA 3129/4885

“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.