SCHEMBL220753

SCHEMBL220753

Brc1cccc2[c]cccc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
AHR P35869 1/20 0.34
NOS1 P29475 1/20 0.32
AXL P30530 1/20 0.32
PRNP P04156 1/20 0.32
BACE1 P56817 1/20 0.31
PLAU P00749 1/20 0.30
PNMT P11086 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL629844 0.84 CYP1A2 (0.31)
SCHEMBL6152174 0.84 CYP1A2 (0.31)
SCHEMBL2318595 0.76 CYP1A2 (0.32)
SCHEMBL4311977 0.76
SCHEMBL2411016 0.75 CYP1A2 (0.32)
SCHEMBL386156 0.74 CYP1A2 (0.55) AHR
SCHEMBL2256346 0.74 ALDH1A1 (0.55) PARP1MEN1KMT2A
SCHEMBL8071828 0.74 CYP3A4 (0.31)
SCHEMBL25231782 0.74 SLC9A1 (0.33) BACE1MEN1KMT2A
SCHEMBL386939 0.73 HSD17B10 (0.44) PARP1PLAUMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576543-B1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2016-12-21 EP claimed
US-9181195-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-11-10 US claimed
US-8927570-B2 1-naphthyl-or 1-dihydroacenaphthenyl-pyrido[B]indoles and uses thereof in treating cancers BUOLAMWINI JOHN K (US) 2015-01-06 US claimed
US-20130158029-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-20 US claimed
US-20130131070-A1 1-Aryl or 1- Heteroaryl-Pyrido(B)indoles and Uses Thereof BUOLAMWINI JOHN K (US) 2013-05-23 US claimed
EP-2576543-A1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS Laboratorios del Dr. Esteve S.A. (ES) 2013-04-10 EP claimed
CN-103003267-A Sigma receptor inhibitors ESTEVE LABOR DR 2013-03-27 CN claimed
EP-2395003-A1 Pyrazole compounds as sigma receptor inhibitors Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-12-14 EP claimed
WO-2011147910-A1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-12-01 WO claimed
EP-1909910-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
US-4906753-A Preparation of 2,6-disubstituted-5-cyano-4-pyrimidinyloxyacetic acid aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1990-03-06 US claimed
US-4786640-A TREATMENT OR PREVENTION OF DIABETIC COMPLICATIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-11-22 US claimed
US-4786638-A TREATMENT OR PREVENTION OF DIABETIC COMPLICATIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-11-22 US claimed
US-3993645-A Stilbene optical brighteners and compositions brightened therewith STERLING DRUG INC. (US) 1976-11-23 US claimed
US-3932301-A NYLON, POLYESTERS STERLING DRUG INC. (US) 1976-01-13 US claimed
CN-118234761-A Process for producing modified conjugated diene polymer, polymer composition, crosslinked material, and tire 株式会社引能仕材料 2024-06-21 CN disclosed
US-3993645-A Stilbene optical brighteners and compositions brightened therewith STERLING DRUG INC. (US) 1976-11-23 US disclosed
US-3932301-A NYLON, POLYESTERS STERLING DRUG INC. (US) 1976-01-13 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 (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-20130158029-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 PARP1 4373/4885AHR 1057/4885NOS1 1279/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 PARP1 346/4885AHR 2425/4885NOS1 317/4885
US-20130131070-A1 1-Aryl or 1- Heteroaryl-Pyrido(B)indoles and Uses Thereof HRH3, HRH4, CNR1 PARP1 2453/4885AHR 12/4885NOS1 1047/4885

“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.