Sugi Predict

Sugi Predict / Compounds / SCHEMBL3559893

SCHEMBL3559893

SCHEMBL3559893

CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.64
▸ KMT2A Q03164 4/20 0.63
▸ MAPT P10636 6/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ PKM P14618 1/20 0.61
▸ CRHBP P24387 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ LMNA P02545 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ MEN1 O00255 3/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ PTGER4 P35408 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53

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
SCHEMBL1981486 0.88 KMT2A (0.67) TSHRKMT2AMAPTALDH1A1RAB9A
SCHEMBL460048 0.86 CA12 (0.64) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL6170431 0.85 KMT2A (0.60) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL13497805 0.85 KMT2A (0.61) TSHRKMT2AMAPTALDH1A1RAB9A
SCHEMBL16464384 0.85 KMT2A (0.60) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL16445513 0.85 KMT2A (0.64) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL692577 0.85 KMT2A (0.60) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL1459781 0.84 TSHR (0.56) TSHRKMT2AMAPTALDH1A1RAB9A
SCHEMBL1890677 0.84 TSHR (0.68) TSHRKMT2AMAPTALDH1A1RAB9A
SCHEMBL16056351 0.84 KMT2A (0.59) KMT2AMAPTALDH1A1RAB9ANPC1

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-113461952-B Active oxygen response type self-degradation polymer and preparation method and application thereof 广州市第一人民医院（广州消化疾病中心、广州医科大学附属市一人民医院、华南理工大学附属第二医院） 2022-07-01 — — CN claimed
CN-113461952-A Active oxygen response type self-degradation polymer and preparation method and application thereof 广州市第一人民医院（广州消化疾病中心、广州医科大学附属市一人民医院、华南理工大学附属第二医院） 2021-10-01 — — CN claimed
CN-112441983-A Benzimidazole substituted nitrobenzene-based compound and preparation method thereof 山东福长药业有限公司 2021-03-05 — — CN claimed
CN-114835584-B Method for post-treatment of esterification reaction of 3-methyl-4-nitrobenzoic acid and alcohol 浙江金立源药业有限公司 2024-08-09 — — CN disclosed
EP-3426246-B1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2024-05-01 — — EP disclosed
CN-112441983-B Benzimidazole-substituted nitrobenzene-based compound and preparation method thereof 山东福长药业有限公司 2023-09-15 — — CN disclosed
CN-114835584-A Method for post-treatment of esterification reaction of 3-methyl-4-nitrobenzoic acid and alcohol 浙江金立源药业有限公司 2022-08-02 — — CN disclosed
CN-113461952-B Active oxygen response type self-degradation polymer and preparation method and application thereof 广州市第一人民医院（广州消化疾病中心、广州医科大学附属市一人民医院、华南理工大学附属第二医院） 2022-07-01 — — CN disclosed
CN-113461952-A Active oxygen response type self-degradation polymer and preparation method and application thereof 广州市第一人民医院（广州消化疾病中心、广州医科大学附属市一人民医院、华南理工大学附属第二医院） 2021-10-01 — — CN disclosed
CN-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 — — CN disclosed
CN-112441983-A Benzimidazole substituted nitrobenzene-based compound and preparation method thereof 山东福长药业有限公司 2021-03-05 — — CN disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 — — US disclosed
US-20010044535-A1 Integrin antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-11-22 — — US disclosed
EP-1054871-A2 PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-29 — — EP disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 — — EP disclosed
WO-1999050249-A2 PYRIMIDINES AND TRIAZINES AS INTEGRIN ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-07 — — WO disclosed
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
US-4396621-A ANALGESICS, ANTIIMFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1983-08-02 — — US disclosed
US-4320138-A ANTIINFLAMMATORY AGENTS FOR ARTHRITIS, GOUT CIBA-GEIGY CORPORATION (US) 1982-03-16 — — US disclosed
US-4260779-A ANALGESICS, ANTIINFLAMMATORY, DIURETICS CIBA-GEIGY CORPORATION (US) 1981-04-07 — — US 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-20010044535-A1 Integrin antagonists ITGB3, VCAM1, ITGB2 TSHR 219/4885KMT2A 4667/4885MAPT 4516/4885

“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.