SCHEMBL3330571

SCHEMBL3330571

CC(=O)NC[C@H]1CN(c2ccc(I)cc2)C(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.59
MAOB P27338 2/20 0.59
LMNA P02545 1/20 0.59
PTGS1 P23219 1/20 0.59
CALML3 P27482 1/20 0.59
SDHA P31040 1/20 0.59
F10 P00742 7/20 0.57
ABCB11 O95342 1/20 0.54

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
SCHEMBL8590209 1.00 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550282 0.96 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13298924 0.90 MAOA (0.61) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5764261 0.88 F10 (0.54) F10
SCHEMBL16703808 0.88 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550292 0.88 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL15367964 0.88 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9823761 0.87 MAOA (0.65) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL18770274 0.87 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3
Dup-721 SCHEMBL4402113 0.87 ABCB11 (0.59) MAOAMAOBLMNAPTGS1CALML3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1816548-B cyclopropyl substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO INC 2011-01-12 CN disclosed
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP disclosed
US-20100137243-A1 Oxazolidinone And/Or Isoxazoline As Antibacterial Agents ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US disclosed
US-7396847-B2 Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2008-07-08 US disclosed
US-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2007-08-30 US disclosed
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo MERCK & CO., INC. 2007-08-09 US disclosed
US-7094900-B2 N-Aryl-2-oxazolidinones and their derivatives PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-22 US disclosed
CN-1816548-A cyclopropyl substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO INC (US) 2006-08-09 CN disclosed
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2005-05-19 US disclosed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US disclosed
WO-2005005420-A1 CYCLOPROPYL GROUP SUBSTITUTED OYAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO disclosed
WO-2005005398-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 WO disclosed
EP-1427711-A1 OXAZOLIDINONE AND/OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2004-06-16 EP disclosed
US-20040072873-A1 N-Aryl-2-oxazolidinones and their derivatives GADWOOD ROBERT C (US) 2004-04-15 US disclosed
EP-1385834-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-02-04 EP disclosed
US-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. 2003-07-03 US disclosed
WO-2003027083-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-04-03 WO disclosed
WO-2003022824-A1 OXAZOLIDINONE AND/OR ISOXAZOLINE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2003-03-20 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 (7 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-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAOA 2977/4885MAOB 1835/4885LMNA 4147/4885
US-20100137243-A1 Oxazolidinone And/Or Isoxazoline As Antibacterial Agents CYP8B1, HRH2, CYP2W1 MAOA 482/4885MAOB 192/4885LMNA 2170/4885
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents CYP8B1, CYP2W1, HRH2 MAOA 800/4885MAOB 328/4885LMNA 2177/4885
US-20070185132-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereo IL17A, COASY, OXA1L MAOA 2435/4885MAOB 1387/4885LMNA 4333/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAOA 2977/4885MAOB 1835/4885LMNA 4147/4885
US-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof NR4A1, NR0B1, NR1D1 MAOA 3466/4885MAOB 3207/4885LMNA 3824/4885
US-20040072873-A1 N-Aryl-2-oxazolidinones and their derivatives OXA1L, NDUFS7, NDUFS6 MAOA 854/4885MAOB 678/4885LMNA 3740/4885

“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.