Sugi Predict

Sugi Predict / Compounds / SCHEMBL589644

SCHEMBL589644

SCHEMBL589644

COc1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HSPB1 P04792 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TSHR P16473 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL358770 0.86 TDP1 (0.61) TDP1ALDH1A1HSPB1L3MBTL1TSHR
SCHEMBL7737795 0.83 TDP1 (0.46) TDP1ALDH1A1HSPB1L3MBTL1TSHR
SCHEMBL27658559 0.82 HSPB1 (0.46) TDP1ALDH1A1HSPB1L3MBTL1TSHR
SCHEMBL25161887 0.81 TDP1 (0.55) TDP1ALDH1A1HSPB1L3MBTL1TSHR
SCHEMBL31119224 0.81 TDP1 (0.71) TDP1ALDH1A1HSPB1L3MBTL1TSHR
SCHEMBL2088309 0.81 TDP1 (0.71) TDP1ALDH1A1HSPB1L3MBTL1TSHR
SCHEMBL31119225 0.81 TDP1 (0.71) TDP1ALDH1A1HSPB1L3MBTL1TSHR
SCHEMBL22366682 0.81 ALDH1A1 (0.50) TDP1ALDH1A1HSPB1L3MBTL1TSHR
SCHEMBL27658438 0.81 HSPB1 (0.48) TDP1ALDH1A1HSPB1L3MBTL1TSHR
SCHEMBL2012344 0.80 HSPB1 (0.48) TDP1ALDH1A1HSPB1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083536-B A kind of preparation method of Ansai Qu key intermediate 浙江永太科技股份有限公司 2018-10-30 — — CN claimed
CN-106083536-A A kind of preparation method of the bent key intermediate in Ansai 浙江永太科技股份有限公司 2016-11-09 — — CN claimed
CN-120192307-A Compounds targeting p53 mutations 上海齐鲁制药研究中心有限公司 2025-06-24 — — CN disclosed
WO-2024120471-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-06-13 — — WO disclosed
CN-105503827-B EGFR inhibitor and its preparation method and application 上海翰森生物医药科技有限公司 2019-09-24 — — CN disclosed
CN-105330698-B Loop coil aryl phosphorous oxides and sulfide 齐鲁制药有限公司 2019-05-28 — — CN disclosed
CN-106083536-B A kind of preparation method of Ansai Qu key intermediate 浙江永太科技股份有限公司 2018-10-30 — — CN disclosed
CN-106083536-B A kind of preparation method of Ansai Qu key intermediate 浙江永太科技股份有限公司 2018-10-30 — — CN disclosed
CN-108350006-A Brigatinib derivatives, the medical composition and its use containing the compound of deuterium modification 正大天晴药业集团股份有限公司 2018-07-31 — — CN disclosed
CN-108137614-A A kind of condensed pyramidine compounds and composition comprising the compound and application thereof 深圳市塔吉瑞生物医药有限公司 2018-06-08 — — CN disclosed
CN-108137544-A Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2018-06-08 — — CN disclosed
CN-1301946-C Preparation method of 2.3-difluoro-5-bromophenol FUXIN JINHONGTAI CHEMICAL CO L (CN) 2007-02-28 — — CN disclosed
US-20060235041-A1 New isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2006-10-19 — — US disclosed
WO-2006089054-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-24 — — WO disclosed
CN-1789224-A Preparation method of 2.3-difluoro-5-bromophenol FUXIN JINHONGTAI CHEMICAL CO L (CN) 2006-06-21 — — CN disclosed
EP-1664062-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2006-06-07 — — EP disclosed
US-20050075363-A1 Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2005-04-07 — — US disclosed
WO-2005019228-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2005-03-03 — — WO disclosed
CN-1315320-A Ether and amide compounds as medicide for treating glycuresis and preparing process thereof KOTOBUKI SEIYAKU CO LTD (JP) 2001-10-03 — — CN disclosed
EP-0368008-A1 Fluorine-containing phenols BAYER AG (DE) 1990-05-16 — — EP 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 (2 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-20050075363-A1 Isothiazoloquinolones and related compounds as anti-infective agents TOP1, IRF3, RECQL TDP1 389/4885ALDH1A1 2406/4885HSPB1 3718/4885
US-20060235041-A1 New isothiazoloquinolones and related compounds as anti-infective agents TOP1, RECQL, IRF3 TDP1 429/4885ALDH1A1 2630/4885HSPB1 3794/4885

“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.