SCHEMBL232201

SCHEMBL232201

CC[CH]c1cc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.60
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
IDO1 P14902 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
AMY1A P0DUB6 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
AOC3 Q16853 2/20 0.45

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
SCHEMBL4966959 0.87 CYP2A6 (0.55) CYP2A6MAPTKDM4EIDO1NPSR1
SCHEMBL10105480 0.83 CYP2A6 (0.55) CYP2A6MAPTKDM4EIDO1NPSR1
SCHEMBL663629 0.81 CYP2A6 (0.61) CYP2A6MAPTKDM4EIDO1NPSR1
SCHEMBL7371792 0.79 CYP2A6 (0.55) CYP2A6MAPTKDM4EIDO1NPSR1
SCHEMBL7271231 0.79 CYP2A6 (0.55) CYP2A6MAPTKDM4EIDO1NPSR1
SCHEMBL219866 0.79 CYP2A6 (0.64) CYP2A6MAPTKDM4EIDO1NPSR1
SCHEMBL28181946 0.79 CYP2A6 (0.69) CYP2A6MAPTKDM4EIDO1NPSR1
SCHEMBL2458423 0.79 CYP2A6 (0.69) CYP2A6MAPTKDM4EIDO1NPSR1
SCHEMBL2458425 0.79 CYP2A6 (0.69) CYP2A6MAPTKDM4EIDO1NPSR1
SCHEMBL31448047 0.76 CYP2A6 (0.60) CYP2A6MAPTKDM4EIDO1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116554109-A Inhibitors of bruton's tyrosine kinase and methods of preparing the same 中山大学 2023-08-08 CN claimed
US-8450525-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-05-28 US claimed
US-20100298402-A1 STILBENE DERIVATIVES AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-11-25 US claimed
US-20100291003-A1 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-11-18 US claimed
EP-2209765-A2 HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-28 EP claimed
WO-2009060282-A2 STILBENE DERIVATIVES AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-05-14 WO claimed
WO-2009053808-A2 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-30 WO claimed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
US-6391917-B1 ANALGESIC ZYMOGENETICS, INC. 2002-05-21 US claimed
US-6255351-B1 TREATMENT OF BONE DISORDERS ZYMOGENETICS, INC. 2001-07-03 US claimed
US-6221913-B1 Dialkyl ureas as calcitonin mimetics ZYMOGENETICS, INC. 2001-04-24 US claimed
EP-0975589-A2 DIALKYL UREAS AS CALCITONIN MIMETICS ZymoGenetics, Inc. (US) 2000-02-02 EP claimed
WO-1999037604-A2 DIALKYL UREAS AS CALCITONIN MIMETICS ZYMOGENETICS, INC. (US) 1999-07-29 WO claimed
US-5801183-A HETEROCYCLC ALCOHOLS FOR NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1998-09-01 US claimed
US-5268378-A Oxo group in 2 and 4 position MERCK SHARP & DOHME, LIMITED (GB) 1993-12-07 US claimed
US-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES UNIVERSITY OF KANSAS 2024-07-18 US disclosed
US-4076703-A 2-O-CHLOROBENZOYL-4-CHLORO-N-METHYL-N(ALPHA)-GLYCYL-GLYCINANILIDE SHIONOGI & CO., LTD. (JA) 1978-02-28 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 (4 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-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES AZI2, NISCH, TET2 CYP2A6 199/4885MAPT 3999/4885KDM4E 159/4885
US-20100291003-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 CYP2A6 1021/4885MAPT 41/4885KDM4E 453/4885
US-20100298402-A1 STILBENE DERIVATIVES AS PSTAT3/IL-6 INHIBITORS IL6, IL6ST, STAT3 CYP2A6 102/4885MAPT 108/4885KDM4E 3876/4885
US-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 CYP2A6 264/4885MAPT 3691/4885KDM4E 3590/4885

“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.