Sugi Predict

Sugi Predict / Compounds / SCHEMBL3536024

SCHEMBL3536024

SCHEMBL3536024

O=C(O)c1cnc(-c2ccc(Cl)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ XDH P47989 3/20 0.52
▸ NAPRT Q6XQN6 1/20 0.52
▸ MAP4K4 O95819 2/20 0.50
▸ EGLN1 Q9GZT9 1/20 0.50
▸ SRD5A2 P31213 1/20 0.50
▸ CTRC Q99895 2/20 0.49
▸ CDH1 P12830 1/20 0.47
▸ APC P25054 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ TCF7L2 Q9NQB0 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KMO O15229 2/20 0.46
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46

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
SCHEMBL29049636 0.89 XDH (0.56) ALOX15TSHRXDHNAPRTMEN1
SCHEMBL12613966 0.86 VNN1 (0.51) ALOX15TSHRMAP4K4SRD5A2MEN1
SCHEMBL14156968 0.84 TSHR (0.56) ALOX15TSHRNAPRTMAP4K4SRD5A2
SCHEMBL3220155 0.82 MEN1 (0.63) ALOX15XDHNAPRTSRD5A2MEN1
SCHEMBL1244776 0.81 LDHA (0.62) TSHRXDHNAPRTMEN1KMT2A
SCHEMBL27773674 0.80 ALDH1A1 (0.56) ALOX15XDHMAP4K4SRD5A2CTRC
SCHEMBL4636278 0.80 BCL2L1 (0.61) XDHNAPRTMAP4K4P4HTMP4HA1
SCHEMBL5648046 0.79 LDHA (0.71) ALOX15TSHRNAPRTMAP4K4SRD5A2
Hydrochloric Acid SCHEMBL3222131 0.79 LDHA (0.60) TSHRXDHNAPRTMEN1KMT2A
SCHEMBL27513000 0.78 NPC1 (0.55) TSHRMEN1KMT2AKDM4ENPC1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102675315-A Substitutive benzene alkyl contained purine compounds and preparation method and application thereof FOURTH MILITARY MEDICAL UNIV 2012-09-19 — — CN claimed
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 — — EP disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 — — US disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 — — CN disclosed
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS WUXI APPTEC CO., LTD (CN) 2018-11-15 — — US disclosed
EP-3377473-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2018-09-26 — — EP disclosed
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 — — US disclosed
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 — — US disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 — — US disclosed
EP-1686119-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2006-08-02 — — EP disclosed
EP-1263740-B1 PYRIMIDINE-4-ONE DERIVATIVE AS LDL-PLA2 INHIBITOR SMITHKLINE BEECHAM PLC (GB) 2006-07-19 — — EP disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 — — US disclosed
US-20040167142-A1 Pyrimidinone compounds SMITHKLINE BEECHAM P.L.C. 2004-08-26 — — US disclosed
US-20040097525-A1 For therapy of atheroscelerosis SMITHKLINE BEECHAM PLC 2004-05-20 — — US disclosed
CN-1146566-C 2-aryl-8-oxodihydropurine derivatives, process for producting same, medicinal conty. same, and intermediates thereof �ձ���ҩ��ʽ���� 2004-04-21 — — CN disclosed
US-6649619-B1 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl) benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimeth ylenepyrimidin-4-one or salt; lipoprotein-associated phospholipase A inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-11-18 — — US disclosed
US-20020103213-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2002-08-01 — — US disclosed
CN-1284076-A 2-aryl-8-oxodihydropurine derivatives, process for producting same, medicinal conty. same, and intermediates thereof DAINIPPON PHARMACEUTICAL CO (JP) 2001-02-14 — — CN 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 (6 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-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ALOX15 3654/4885TSHR 4174/4885XDH 2939/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ALOX15 3654/4885TSHR 4174/4885XDH 2939/4885
US-20040167142-A1 Pyrimidinone compounds LPL, LIPG, PCSK9 ALOX15 84/4885TSHR 4116/4885XDH 256/4885
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS ANPEP, NPEPPS, PEPD ALOX15 4593/4885TSHR 3678/4885XDH 2835/4885
US-20040097525-A1 For therapy of atheroscelerosis LYPLA2, LOXL2, LYPLA1 ALOX15 21/4885TSHR 3180/4885XDH 320/4885
US-20020103213-A1 Pyrimidone compounds which are inhibitors of the enzyme Lp-PLA2; use in treating atheroscelerosis LYPLAL1, ENPP2, LYPLA2 ALOX15 16/4885TSHR 3567/4885XDH 353/4885

“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.