SCHEMBL5202902

SCHEMBL5202902

O=C1CCCC2=Nc3ccccc3C12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.41
NOS3 P29474 5/20 0.41
NOS2 P35228 5/20 0.41
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
ANPEP P15144 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9615916 0.75 NOS1 (0.40) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL9559207 0.69 NOS1 (0.47) NOS1NOS3NOS2ALDH1A1
SCHEMBL3846230 0.69 NOS1 (0.41) NOS1NOS3NOS2ALDH1A1MAPT
SCHEMBL6170685 0.69 NOS1 (0.49) NOS1NOS3NOS2ANPEP
SCHEMBL145755 0.68 NOS1 (0.50) NOS1NOS3NOS2ALDH1A1
SCHEMBL30074503 0.68 NOS1 (0.50) NOS1NOS3NOS2ALDH1A1
SCHEMBL10736168 0.67 TP53 (0.47) POLBALDH1A1MAPTGAA
SCHEMBL7213386 0.66 MAPT (0.50) ALDH1A1MAPTLMNAGAAL3MBTL1
SCHEMBL19279335 0.66 NOS1 (0.38) NOS1NOS3NOS2
SCHEMBL11033988 0.66 ALDH1A1 (0.56) POLBALDH1A1MAPTLMNAGAA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820845-B1 NOVEL, NEW GENERATION INHIBITOR COMPOUNDS SPECIFIC TO GST P1 ENZYME HACETTEPE UENIVERSITESI (TR) 2023-05-24 EP disclosed
US-20220074941-A1 HSP90 COMBINATION THERAPY SLOAN KETTERING INST CANCER RES (US) 2022-03-10 US disclosed
EP-3820845-A1 NOVEL, NEW GENERATION INHIBITOR COMPOUNDS SPECIFIC TO GST P1 ENZYME HACETTEPE ÜNIVERSITESI (TR) 2021-05-19 EP disclosed
WO-2020130974-A1 NOVEL, NEW GENERATION INHIBITOR COMPOUNDS SPECIFIC TO GST P1 ENZYME HACETTEPE ÜNİVERSİTESİ (TR) 2020-06-25 WO disclosed
US-20140315929-A1 HSP90 COMBINATION THERAPY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-10-23 US disclosed
EP-2701747-A2 HSP90 COMBINATION THERAPY Sloan-Kettering Institute for Cancer Research (US) 2014-03-05 EP disclosed
WO-2012149493-A2 HSP90 COMBINATION THERAPY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-11-01 WO disclosed
CN-102464604-A Production method of N-methyl tetrahydrocarbazolone UNIV HARBIN SCIENCE & TECH 2012-05-23 CN disclosed
US-20070197797-A1 Compounds and methods for carbazole synthesis ROCHE COLORADO CORPORATION 2007-08-23 US disclosed
WO-2007077111-A1 COMPOUNDS AND METHODS FOR CARBAZOLE SYNTHESIS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 WO disclosed
EP-1499623-B1 PROCESS FOR PREPARING 1,2,3,9-TETRAHYDRO-9-METHYL-3-¬(2-METHYL-1H-IMIDAZOL-1-YL)METHYL|-4H-CARBAZOL-4-ONE TEVA GYOGYSZERGYAR ZARTKOERUEE (HU) 2007-06-13 EP disclosed
US-20060252942-A1 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-YL)methyl]-4H-carbazol-4-one MOLNAR SANDOR 2006-11-09 US disclosed
US-7098345-B2 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-YL)methyl]-4H-carbazol-4-one TEVA Gyógyszergyár Zárkörüen Müködö Részvénytársaság (HU) 2006-08-29 US disclosed
US-20050020655-A1 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[2-methyl-1H-imidazol-1-YL)methyl]-4H-carbazol-4-one TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2005-01-27 US disclosed
EP-1499623-A1 PROCESS FOR PREPARING 1,2,3,9-TETRAHYDRO-9-METHYL-3-[(2-METHYL-1H-IMIDAZOL-1-YL)METHYL]-4H-CARBAZOL-4-ONE BIOGAL GYOGYSZERGYAR RT. (HU) 2005-01-26 EP disclosed
WO-2003093281-A1 PROCESS FOR PREPARING 1,2,3,9-TETRAHYDRO-9-METHYL-3-[(2-METHYL-1H-IMIDAZOL-1-YL)METHYL]-4H-CARBAZOL-4-ONE BIOGAL GYOGYSZERGYAR RT. (HU) 2003-11-13 WO disclosed
US-6506901-B2 1-(9H-Carbazol-4-yloxy)-3-((1-(7-trifluoromethyl-quinolin-4-yl) -piperidin-4-lmethyl)-amino)-propan-2-ol, for example; treating diabetes, urinary continence, atherosclerosis, gastrointestinal disorders, glaucoma WYETH 2003-01-14 US disclosed
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-28 US disclosed
WO-2002006255-A2 HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS WYETH (US) 2002-01-24 WO disclosed
US-5030646-A Treatment of diseases resulting from disfunction of seretoninergic system ADIR ET COMPAGNIE (FR) 1991-07-09 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 (6 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-20050020655-A1 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[2-methyl-1H-imidazol-1-YL)methyl]-4H-carbazol-4-one CYP3A4, HTR4, TPH1 NOS1 758/4885NOS3 583/4885NOS2 666/4885
US-20060252942-A1 Process for preparing 1,2,3,9-tetrahydro-9-methyl-3-[(2-methyl-1H-imidazol-1-YL)methyl]-4H-carbazol-4-one SI, CYP3A4, CYP2C19 NOS1 928/4885NOS3 633/4885NOS2 845/4885
US-20020037907-A1 Substituted 2- (S) -hydroxy-3- (piperidin-4-yl-methylamino) -propyl ethers and substituted 2-aryl-2- (R) - hydroxy-1- (piperidin-4-yl-methyl) -ethylamine beta-3 adrenergic receptor agonists GPR119, ADRB1, ADRB2 NOS1 760/4885NOS3 486/4885NOS2 662/4885
US-20220074941-A1 HSP90 COMBINATION THERAPY HSP90AB1, HSP90AB2P, HSP90B1 NOS1 4455/4885NOS3 4522/4885NOS2 4351/4885
US-20140315929-A1 HSP90 COMBINATION THERAPY HSP90AB1, HSP90AB2P, HSP90B1 NOS1 4466/4885NOS3 4525/4885NOS2 4355/4885
US-20070197797-A1 Compounds and methods for carbazole synthesis CNR2, CNR1, CYP2J2 NOS1 2062/4885NOS3 1082/4885NOS2 1215/4885

“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.