SCHEMBL7461998

SCHEMBL7461998

Cc1noc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
CA9 Q16790 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
EDNRA P25101 3/20 0.43
EDNRB P24530 2/20 0.43
CA12 O43570 1/20 0.43
CYP3A4 P08684 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL10514929 0.87 LMNA (0.56) LMNACYP1A2ALDH1A1TDP1TSHR
SCHEMBL30748281 0.80 IDO1 (0.56) LMNACYP1A2ALDH1A1TDP1TSHR
SCHEMBL6588863 0.80 GPR35 (0.47) LMNACYP1A2ALDH1A1TSHRCA9
SCHEMBL6593057 0.80 LMNA (0.46) LMNACYP1A2ALDH1A1TDP1CA9
SCHEMBL6962602 0.80 IDO1 (0.56) LMNACYP1A2ALDH1A1TDP1TSHR
SCHEMBL29571343 0.76 LMNA (0.52) LMNACYP1A2ALDH1A1TDP1CA9
SCHEMBL19142316 0.76 MEN1 (0.46) LMNACYP1A2ALDH1A1CA9MEN1
SCHEMBL6833141 0.76 LMNA (0.52) LMNACYP1A2ALDH1A1TDP1CA9
SCHEMBL7247038 0.76 HIF1A (0.47) LMNACYP1A2ALDH1A1CA9MEN1
SCHEMBL28961641 0.75 LMNA (0.51) LMNACYP1A2ALDH1A1TSHRCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115976586-A Positive and negative pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2023-04-18 CN claimed
CN-115976586-B Forward and reverse pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2025-03-14 CN disclosed
CN-114437062-B Compound capable of being used as sodium channel regulator and application thereof 成都海博为药业有限公司 2024-05-17 CN disclosed
CN-115976586-A Positive and negative pulse electrolytic nickel-tungsten alloy solution, preparation method, electroplating method and nickel-tungsten alloy coating 昆山一鼎工业科技有限公司 2023-04-18 CN disclosed
CN-114437062-A Compound capable of being used as sodium channel regulator and application thereof 成都海博为药业有限公司 2022-05-06 CN disclosed
EP-3192792-B1 AMINOSULFONYL-BASED COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU VIGONVITA LIFE SCIENCES CO LTD (CN) 2022-03-09 EP disclosed
US-10093679-B2 Amino sulfonyl-based compounds, the preparation method therefor and use thereof SUZHOU VIGONVITA LIFE SCIENCES CO., LTD (CN) 2018-10-09 US disclosed
US-20170298080-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-10-19 US disclosed
EP-3004110-B1 PYRAZOLOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-07-26 EP disclosed
EP-3192792-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Vigonvita Life Sciences Co., Ltd. (CN) 2017-07-19 EP disclosed
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2014-11-27 US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
EP-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP disclosed
US-6355796-B1 REACTING BETA-AMINO-BETA-(PERFLUOROALKYL)ACRYLATE COMPOUND WITH BASE AND CARBAMOYL CHLORIDE COMPOUND TO FORM UREA COMPOUND, REACTING UREA COMPOUND WITH PHOSPHORUS PENTAHALIDE OR OXALYL HALIDE BASF AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
EP-1169308-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1,3-OXAZIN-6-ONES AND URACILS BASF AKTIENGESELLSCHAFT (DE) 2002-01-09 EP disclosed
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US disclosed
WO-2000049002-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1,3-OXAZIN-6-ONES AND URACILS AMERICAN CYANAMID COMPANY (US) 2000-08-24 WO disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 EP disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 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-10093679-B2 Amino sulfonyl-based compounds, the preparation method therefor and use thereof SLC6A11, HADHB, NOTUM LMNA 2587/4885CYP1A2 632/4885ALDH1A1 983/4885
US-20140349990-A1 Pyrazolopyrrolidine Derivatives and their Use in the Treatment of Disease PKD1, PKD2, REN LMNA 3686/4885CYP1A2 192/4885ALDH1A1 766/4885
US-20170298080-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF NOTUM, ALDH7A1, HADHB LMNA 2474/4885CYP1A2 546/4885ALDH1A1 955/4885

“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.