Sugi Predict

Sugi Predict / Compounds / SCHEMBL3743764

SCHEMBL3743764

SCHEMBL3743764

O=C(c1ccccc1)N(O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 5/20 0.52
▸ CES2 O00748 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ DAO P14920 1/20 0.52
▸ NAPRT Q6XQN6 1/20 0.52
▸ TDP1 Q9NUW8 4/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA4 P22748 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ PARP1 P09874 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CA12 O43570 1/20 0.48

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
SCHEMBL6561305 0.83 CES1 (0.52) CES1CES2ALDH1A1TSHRDAO
SCHEMBL1574223 0.80 CES1 (0.55) CES1CES2ALDH1A1TSHRDAO
SCHEMBL11267268 0.80 CES1 (0.55) CES1CES2ALDH1A1TSHRDAO
SCHEMBL125680 0.79 HSP90AA1 (0.54) CES1CES2ALDH1A1TSHRDAO
SCHEMBL21251435 0.79 CES1 (0.48) CES1CES2ALDH1A1TSHRDAO
SCHEMBL10841561 0.79 CES1 (0.48) CES1CES2ALDH1A1TSHRDAO
SCHEMBL10999012 0.79 CA2 (0.50) CES1CES2ALDH1A1TSHRDAO
SCHEMBL2362058 0.79 TDP1 (0.50) CES1CES2ALDH1A1TSHRDAO
SCHEMBL19875704 0.79 CES1 (0.48) CES1CES2ALDH1A1TSHRDAO
SCHEMBL18690253 0.79 CES1 (0.48) CES1CES2ALDH1A1TSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113082025-B Application of dihydroxy benzamide derivative in preparation of SerC inhibitor and antituberculosis drug 上海市肺科医院 2023-01-20 — — CN claimed
CN-109876775-A A kind of metal organic framework fibrous material and preparation method thereof 中国石油化工股份有限公司 2019-06-14 — — CN claimed
CN-106751652-B A kind of bloom makrolon adds fiber composite material 中山市大亮彩塑胶新材料有限公司 2018-09-28 — — CN claimed
CN-102216279-B Phenyl pyrimidone compounds, pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI Co.,Ltd. (CN) 2014-10-29 — — CN claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 — — US claimed
CN-101747282-A Phenyl pyrimidone compounds, pharmaceutical compositions and preparation methods and uses thereof TOPHARMAN SHANGHAI CO LTD 2010-06-23 — — CN claimed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 — — EP claimed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 — — WO claimed
EP-0711288-A1 PIPERAZINE DERIVATIVES AS ALPHA 1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 1996-05-15 — — EP claimed
WO-1995004049-A1 PIPERAZINE DERIVATIVES AS α1A-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-02-09 — — WO claimed
JP-53018570-A — — None — — JP disclosed
CN-115160097-B Method for synthesizing amide by reducing N-O bond by thioacetic acid 温州大学 2024-05-28 — — CN disclosed
CN-113082025-B Application of dihydroxy benzamide derivative in preparation of SerC inhibitor and antituberculosis drug 上海市肺科医院 2023-01-20 — — CN disclosed
CN-113082025-B Application of dihydroxy benzamide derivative in preparation of SerC inhibitor and antituberculosis drug 上海市肺科医院 2023-01-20 — — CN disclosed
CN-113082025-B Application of dihydroxy benzamide derivative in preparation of SerC inhibitor and antituberculosis drug 上海市肺科医院 2023-01-20 — — CN disclosed
WO-1995030448-A9 METHODS AND APPARATUS FOR INTRAPULMONARY THERAPY AND DRUG ADMINISTRATION — 1995-12-14 — — WO disclosed
WO-1995030448-A1 METHODS AND APPARATUS FOR INTRAPULMONARY THERAPY AND DRUG ADMINISTRATION BRAUNER MARK (US) 1995-11-16 — — WO disclosed
US-4196066-A UNSATURATED EPOXIDE TEIJIN LIMITED (JP) 1980-04-01 — — US disclosed
JP-S5318570-A NOVEL SUBSTITUTED 2*33ALKYLENEBIS*OXY*BENZAMIDES* THIER PREPARATION AND MEDICAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT ILE DE FRANCE 1978-02-20 — — JP disclosed
JP-S05318570-A — — 0001-01-01 — — JP 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R CES1 54/4885CES2 580/4885ALDH1A1 1976/4885

“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.