Sugi Predict

Sugi Predict / Compounds / SCHEMBL1099548

SCHEMBL1099548

SCHEMBL1099548

COc1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ ALOX5 P09917 2/20 0.52
▸ TPMT P51580 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ AKR1C3 P42330 2/20 0.45

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
SCHEMBL31191372 0.86 ALDH1A1 (0.53) MEN1KMT2AALOX5MAPTLMNA
SCHEMBL16396603 0.85 ALDH1A1 (0.51) MEN1KMT2AALOX5MAPTLMNA
SCHEMBL419102 0.85 ALOX5 (0.55) MEN1KMT2AALOX5MAPTLMNA
SCHEMBL1719601 0.85 SMN1; SMN2 (0.68) MEN1KMT2AALOX5MAPTLMNA
SCHEMBL16952226 0.84 ALOX5 (0.50) MEN1KMT2AALOX5MAPTLMNA
Hydrochloric Acid SCHEMBL29868255 0.83 SMN1; SMN2 (0.66) MEN1KMT2AALOX5MAPTLMNA
SCHEMBL10379110 0.83 ALOX5 (0.47) MEN1KMT2AALOX5MAPTLMNA
SCHEMBL16396254 0.82 RAB9A (0.60) MEN1KMT2AALOX5TP53SMN1; SMN2
SCHEMBL3580457 0.82 KMT2A (0.51) MEN1KMT2AALOX5MAPTLMNA
SCHEMBL1792981 0.82 KMT2A (0.51) MEN1KMT2AALOX5TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166079-A Redox active compounds and their use 克姆布鲁项目公司 2021-07-23 — — CN claimed
CN-107973727-B M-disubstituted phenol compound, preparation method and anti-tubercle bacillus application thereof 中山大学 2020-04-17 — — CN claimed
EP-4720034-A1 NOVEL COMPOUNDS TO TREAT VIRAL INFECTIONS Zydus Lifesciences Limited (IN) 2026-04-08 — — EP disclosed
US-12492202-B2 Macrocyclic PAD4 inhibitors useful as immunosuppressant BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 — — US disclosed
US-20250154140-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF Sunnybrook Research Institute (CA) 2025-05-15 — — US disclosed
EP-4479383-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF Sunnybrook Research Institute (CA) 2024-12-25 — — EP disclosed
WO-2024252254-A1 NOVEL COMPOUNDS TO TREAT VIRAL INFECTIONS ZYDUS LIFESCIENCES LIMITED (IN) 2024-12-12 — — WO disclosed
CN-119013259-A Isoquinoline derivatives as inhibitors of BAX and/or BAK, compositions and uses thereof 森尼布鲁克研究院 2024-11-22 — — CN disclosed
CN-118510770-A Fused heteroaryl hydroxamic acids as STING agonists 比西切姆有限公司 2024-08-16 — — CN disclosed
CN-112789087-B Benzimidazole inhibitors of PAD enzymes 百时美施贵宝公司 2024-08-13 — — CN disclosed
CN-117069679-A N- (substituted phenyl) thiazole phenoxyacetamide compound and preparation method and application thereof 湖南省农业生物技术研究所 2023-11-17 — — CN disclosed
US-6521612-B2 Antibiotic against grampositive, gramnegative bacteria ZENECA LTD. (GB) 2003-02-18 — — US disclosed
US-20020042408-A1 Antibiotic compounds ZENECA LIMITED 2002-04-11 — — US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 — — US disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 — — US disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 — — EP disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 — — US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 — — US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 — — EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 — — 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 (3 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-12492202-B2 Macrocyclic PAD4 inhibitors useful as immunosuppressant PADI4, PADI1, PADI2 MEN1 2559/4885KMT2A 509/4885ALOX5 1964/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 MEN1 1586/4885KMT2A 1783/4885ALOX5 3595/4885
US-20250154140-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF BAK1, BAX, BCL2 MEN1 4292/4885KMT2A 2191/4885ALOX5 2725/4885

“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.