SCHEMBL6081855

SCHEMBL6081855

CC(C(=O)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CES2 O00748 5/20 0.44
▸ CES1 P23141 5/20 0.44
▸ LMNA P02545 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL2577243 0.86 TDP1 (0.52) TDP1SMN1; SMN2KMT2AALDH1A1CA2
SCHEMBL29084329 0.81 MAPK1 (0.58) TDP1L3MBTL1CES2CES1LMNA
SCHEMBL4273163 0.80 CA12 (0.47) CES2CES1MAPTALDH1A1CA2
SCHEMBL4363316 0.79 TDP1 (0.48) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10740779 0.79 SLC6A2 (0.54) HRH1KCNH2TDP1SMN1; SMN2MAPT
SCHEMBL4272093 0.79 CES2 (0.51) CES2CES1SMN1; SMN2KMT2AALDH1A1
SCHEMBL6652948 0.78 CES2 (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10353222 0.78 TDP1 (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL5682434 0.77 TDP1 (0.42) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL4273531 0.77 CES2 (0.56) CES2CES1LMNASMN1; SMN2MAPT

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
JP-8167542-A — — None — — JP disclosed
CN-106117113-B Polysubstituted carbazole, derivative and its synthetic method 湘潭大学 2019-08-16 — — CN disclosed
CN-110003083-A A kind of process using Ir catalyst preparation S- indoline-2-carboxylic acid 大连万福制药有限公司 2019-07-12 — — CN disclosed
US-10207988-B2 Methods and compositions for treatment of cancer and autoimmune disease THE JACKSON LABORATORY (US) 2019-02-19 — — US disclosed
CN-105951307-B A kind of high-performance radiation protection metal face fabric and preparation method thereof 苏州洪河金属制品有限公司 2018-06-26 — — CN disclosed
EP-2724156-B1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE JACKSON LAB (US) 2017-08-16 — — EP disclosed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 — — CN disclosed
CN-101478970-B Quinoxalinyl macrocyclic hepatitis c virus serine protease inhibitors ENANTA PHARM INC 2014-07-02 — — CN disclosed
EP-2724156-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE The Jackson Laboratory (US) 2014-04-30 — — EP disclosed
US-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE THE JACKSON LABORATORY (US) 2013-07-18 — — US disclosed
JP-H08167542-A ELECTROLYTE FOR DRIVING OF ELECTROLYTIC CAPACITOR MARCON ELECTRON CO LTD 1996-06-25 — — JP disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 — — EP disclosed
EP-0673782-A2 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 1995-09-27 — — EP disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 — — WO disclosed
US-5336749-A Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-08-09 — — US disclosed
EP-0394058-B1 ALICYCLIC DIAMINES, ALICYCLIC DIISOCYANATES AND POLYISOCYANATO-ISOCYANURATES AND METHOD FOR THE PREPARATION THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-25 — — EP disclosed
US-5210286-A Hydrogenation of corresponding aromatic compound, reaction with phosgene MITSUI TOATSU CHEMICALS, INC. (JP) 1993-05-11 — — US disclosed
US-5126426-A Catalytic hydrogenation of aromatic diamine MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-06-30 — — US disclosed
EP-0394058-A1 Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-24 — — EP disclosed
US-3969322-A AMINOESTER POLYMER FROM A NITROKETONIZED POLYMER AND TERT-AMINO ALCOHOL TEXACO INC. (US) 1976-07-13 — — 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-20130184342-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF CANCER AND AUTOIMMUNE DISEASE BAK1, SSB, MRE11 PGR 4121/4885ADRA2A 4826/4885ADRA2B 4763/4885
US-10207988-B2 Methods and compositions for treatment of cancer and autoimmune disease BAK1, SSB, MRE11 PGR 4121/4885ADRA2A 4826/4885ADRA2B 4763/4885

“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.

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