SCHEMBL6600451

SCHEMBL6600451

Oc1c(Br)cc2ccccc2c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
TRPM4 Q8TD43 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HIF1A Q16665 1/20 0.44
CYP1B1 Q16678 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NQO2 P16083 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PTPN1 P18031 1/20 0.41
HSP90AA1 P07900 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40

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
SCHEMBL6545417 0.84 CASP6 (0.48) POLBTRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL1109931 0.83 ALOX5 (0.46) POLBTRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL31290232 0.83 POLB (0.47) POLBTRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL4886000 0.83 POLB (0.47) POLBTRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL3332527 0.83 POLB (0.57) POLBTRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL5637840 0.79 ALDH1A1 (0.50) POLBTRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL29518510 0.79 ALDH1A1 (0.50) POLBTRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL20564544 0.79 CYP1A2 (0.42) POLBTRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL22658046 0.79 TRPM4 (0.42) POLBTRPM4ALDH1A1HIF1ACYP1B1
SCHEMBL31590404 0.79 TRPM4 (0.42) POLBTRPM4ALDH1A1HIF1ACYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968163-A1 PROCESS FOR THE MANUFACTURE OF 2-BROMO-6-METHOXYNAPHTHALENE Bromine Compounds Ltd. (IL) 2000-01-05 EP claimed
WO-1998042647-A1 PROCESS FOR THE MANUFACTURE OF 2-BROMO-6-METHOXYNAPHTHALENE BROMINE COMPOUNDS LTD. (IL) 1998-10-01 WO claimed
WO-2023125627-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LYNK PHARMACEUTICALS CO., LTD. (CN) 2023-07-06 WO disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113227055-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-06 CN disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 US disclosed
EP-1432689-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Corporation (US) 2004-06-30 EP disclosed
WO-2003027074-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
EP-0968163-A1 PROCESS FOR THE MANUFACTURE OF 2-BROMO-6-METHOXYNAPHTHALENE Bromine Compounds Ltd. (IL) 2000-01-05 EP disclosed
EP-0937021-A1 PRODUCTION OF NABUMETONE OR PRECURSORS THEREOF ALBEMARLE CORPORATION (US) 1999-08-25 EP disclosed
US-5907069-A METHYLATION OF 6-BROMO-2-NAPHTHOL WITH METHYL BROMIDE OR METHYL CHLORIDE AND RECOVERING NABUMETONE ALBEMARLE CORPORATION (US) 1999-05-25 US disclosed
WO-1998042647-A1 PROCESS FOR THE MANUFACTURE OF 2-BROMO-6-METHOXYNAPHTHALENE BROMINE COMPOUNDS LTD. (IL) 1998-10-01 WO disclosed
US-5792886-A METHYLATION OF 6-BROMO-2-NAPHTHOL WITH METHYL BROMIDE TO 2-BROMO-6-METHOXYNAPHTHALENE; FORMING GRIGNARD; REACTING WITH A LOWER ALKYL 2-BROMOPROPIONATE ALBEMARLE CORPORATION (US) 1998-08-11 US disclosed
WO-1998030528-A2 PRODUCTION OF RACEMIC 2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID OR PRECURSORS THEREOF ALBEMARLE CORPORATION (US) 1998-07-16 WO disclosed
US-5756851-A Production of nabumetone or precursors thereof ALBEMARLE CORPORATION (US) 1998-05-26 US disclosed
WO-1998017616-A1 PRODUCTION OF NABUMETONE OR PRECURSORS THEREOF ALBEMARLE CORPORATION (US) 1998-04-30 WO disclosed
US-3960972-A FROM OLEFINS AND FORMALDEHYDE, PHENOL PROMOTER PHILLIPS PETROLEUM COMPANY (US) 1976-06-01 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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 POLB 749/4885TRPM4 4733/4885ALDH1A1 758/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 POLB 4588/4885TRPM4 417/4885ALDH1A1 2123/4885

“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.