Sugi Predict

Sugi Predict / Compounds / SCHEMBL48947

SCHEMBL48947

SCHEMBL48947

CC(=O)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.57
▸ MAOB P27338 2/20 0.56
▸ MAOA P21397 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LMNA P02545 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.52
▸ CES2 O00748 1/20 0.51
▸ CES1 P23141 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ACHE P22303 1/20 0.50
▸ GLO1 Q04760 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ALOX15 P16050 1/20 0.50

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
SCHEMBL17916190 0.85 TSHR (0.57) TSHRALDH1A1MAOBMAOASMN1; SMN2
SCHEMBL2651119 0.84 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNASIGMAR1
SCHEMBL296300 0.84 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNASIGMAR1
SCHEMBL11362791 0.84 TSHR (0.61) TSHRALDH1A1MAOBMAOASMN1; SMN2
SCHEMBL9911538 0.83 TSHR (0.56) TSHRALDH1A1MAOBMAOASMN1; SMN2
SCHEMBL520733 0.83 MEN1 (0.58) TSHRALDH1A1MAOBMAOASMN1; SMN2
SCHEMBL621794 0.83 TRPV1 (0.56) TSHRALDH1A1MAOBMAOASMN1; SMN2
SCHEMBL568614 0.83 TSHR (0.56) TSHRALDH1A1MAOBMAOASMN1; SMN2
SCHEMBL641742 0.83 TSHR (0.64) TSHRALDH1A1MAOBMAOASMN1; SMN2
SCHEMBL2082576 0.83 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684105-A N-phenyl isatin-mediated ketone-carboxylic acid conversion reaction method 贵州医科大学 2025-03-25 — — CN claimed
CN-110590529-A Preparation method of 1-aryl-2-acetone compound 浙江医药高等专科学校 2019-12-20 — — CN claimed
US-4020059-A Process for preparing tertiary amines NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-04-26 — — US claimed
CN-119684105-A N-phenyl isatin-mediated ketone-carboxylic acid conversion reaction method 贵州医科大学 2025-03-25 — — CN disclosed
US-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 — — US disclosed
US-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 — — US disclosed
EP-4371977-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-05-22 — — EP disclosed
CN-117813288-A Arylamino derivative estrogen receptor modulator and use thereof 西藏海思科制药有限公司 2024-04-02 — — CN disclosed
CN-111118076-B Method for biocatalytically reducing nitro compound 重庆博腾制药科技股份有限公司 2024-03-08 — — CN disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 — — US disclosed
WO-2023284837-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF 四川海思科制药有限公司 2023-01-19 — — WO disclosed
WO-1999048892-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-09-30 — — WO disclosed
WO-1999043657-A1 2-ARYLETHYL-(PIPERIDIN-4-YLMETHYL)AMINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1999-09-02 — — WO disclosed
EP-0375422-B1 Composition and methods for determining the presence of amphetamines in a sample suspected of containing amphetamine and/or methamphetamine BEHRINGWERKE AG (DE) 1996-07-03 — — EP disclosed
US-5328828-A Immunoassay for amphetamines with antibodies for conjugation and enzymes SYNTEX (U.S.A.) INC. (US) 1994-07-12 — — US disclosed
US-5135863-A Immunoassay; drug abuse SYNTEX (U.S.A.) INC. (US) 1992-08-04 — — US disclosed
EP-0375422-A2 Composition and methods for determining the presence of amphetamines in a sample suspected of containing amphetamine and/or methamphetamine BEHRINGWERKE Aktiengesellschaft (DE) 1990-06-27 — — EP disclosed
US-4146645-A HYPERTENSIVE PHENYLALKYLAMINES AND SALTS THEREOF BOEHRINGER INGELHEIM GMBH (DE) 1979-03-27 — — US disclosed
US-4020059-A Process for preparing tertiary amines NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JA) 1977-04-26 — — US disclosed
US-4015011-A HYPERTENSIVES BOEHRINGER INGELHEIM GMBH (DT) 1977-03-29 — — 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 (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-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF GPER1, ESR1, ESRRA TSHR 252/4885ALDH1A1 598/4885MAOB 1905/4885
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC TSHR 4173/4885ALDH1A1 295/4885MAOB 2052/4885

“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.