SCHEMBL21566

SCHEMBL21566

Cc1cc([N+](=O)[O-])c(C)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
TSHR P16473 5/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 3/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
GPR35 Q9HC97 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NLRP1 Q9C000 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 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
SCHEMBL29727863 1.00 CYP1A2 (0.57) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL30122458 0.91 CYP1A2 (0.52) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL1198631 0.91 CYP1A2 (0.52) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL2442735 0.89 CYP1A2 (0.53) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL6036755 0.87 CYP1A2 (0.52) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL8793429 0.87 CYP1A2 (0.52) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL8053279 0.86 TSHR (0.58) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL864403 0.84 CYP1A2 (0.59) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL2374034 0.82 TSHR (0.52) CYP1A2TSHRALDH1A1CYP3A4RECQL
SCHEMBL10179453 0.82 CYP1A2 (0.47) CYP1A2TSHRALDH1A1CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312363-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-05-27 US disclosed
CN-118084710-A Kv7 potassium ion channel opener, and pharmaceutical composition and application thereof 青岛海枢康制药有限公司 2024-05-28 CN disclosed
US-20240109913-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-04-04 US disclosed
CN-113861110-B Polysubstituted sulfonamide compound, preparation method and medical application thereof 中国药科大学 2024-03-01 CN disclosed
EP-3625215-B1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD (IN) 2023-09-13 EP disclosed
EP-3625215-B1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD (IN) 2023-09-13 EP disclosed
CN-116670127-A EGFR inhibitors and compositions and uses thereof 贝达药业股份有限公司 2023-08-29 CN disclosed
CN-113072741-B Environment-friendly p-phenylenediamine anti-aging agent and preparation method and application thereof 怡维怡橡胶研究院有限公司 2022-07-15 CN disclosed
CN-113861110-A Polysubstituted sulfonamide compound, preparation method and medical application thereof 中国药科大学 2021-12-31 CN disclosed
CN-113072741-A Environment-friendly p-phenylenediamine anti-aging agent and preparation method and application thereof 怡维怡橡胶研究院有限公司 2021-07-06 CN disclosed
EP-1150944-B1 N2-PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-08-20 EP disclosed
US-20030088050-A1 Substituted poly(arylenevinylenes), process for their preparation, and their use in electroluminescent elements MERCK PATENT GMBH (DE) 2003-05-08 US disclosed
US-20030008884-A1 Fungicidal phenyl (thio) urea and phenyl (thio) carbamate derivatives AVENTIS CROPSCIENCE S.A. 2003-01-09 US disclosed
US-20020064680-A1 Substituted poly(arylene vinylenes), method for producing the same, and their use in electroluminescent elements AXIVA GMBH (DE) 2002-05-30 US disclosed
CN-1342137-A N2 phenylamidine derivatives AFINDY AGRICULTURAL SCIENCES G (DE) 2002-03-27 CN disclosed
EP-1178039-A1 Derivatives of phenyl(thio)urea and phenyl(thio)carbamate fungicides AVENTIS CROPSCIENCE S.A. (FR) 2002-02-06 EP disclosed
EP-1150944-A1 N2-PHENYLAMIDINE DERIVATIVES Aventis CropScience GmbH (DE) 2001-11-07 EP disclosed
EP-1029019-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS Axiva GmbH (DE) 2000-08-23 EP disclosed
WO-2000046184-A1 N2-PHENYLAMIDINE DERIVATIVES AVENTIS CROPSCIENCE GMBH (FR) 2000-08-10 WO disclosed
WO-1999024526-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR PRODUCING THE SAME, AND THEIR USE IN ELECTROLUMINESCENT ELEMENTS AXIVA GMBH (DE) 1999-05-20 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-20030008884-A1 Fungicidal phenyl (thio) urea and phenyl (thio) carbamate derivatives NAT1, CAT, TPMT CYP1A2 133/4885TSHR 1197/4885ALDH1A1 1599/4885
US-12312363-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors TP53, MDM2, FOXM1 CYP1A2 751/4885TSHR 1623/4885ALDH1A1 1055/4885
US-20240109913-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 CYP1A2 933/4885TSHR 1681/4885ALDH1A1 865/4885

“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.