SCHEMBL5679983

SCHEMBL5679983

COc1cc([C]=O)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
HPGD P15428 3/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
GRM5 P41594 2/20 0.50
KCNH2 Q12809 2/20 0.50
SLC2A1 P11166 1/20 0.47
POLB P06746 4/20 0.46
NQO2 P16083 2/20 0.46
RAD52 P43351 1/20 0.43
NPC1 O15118 1/20 0.43
GUSB P08236 1/20 0.43
ACACA Q13085 1/20 0.42
C1R P00736 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL28739907 0.83 SMN1; SMN2 (0.57) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL4789854 0.79 PDE10A (0.45) HPGDLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3085385 0.77 CYP1A2 (0.58) HPGDLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL396614 0.75 HPGD (0.64) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL266444 0.75 LMNA (0.64) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL29877118 0.75 LMNA (0.64) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL28010962 0.75 LMNA (0.64) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL30065410 0.75 HPGD (0.64) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL3065369 0.74 LMNA (0.62) ALOX15HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL2539705 0.74 HPGD (0.62) ALOX15HPGDLMNASMN1; SMN2ALDH1A1

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
EP-1100797-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LTD (GB) 2003-02-26 EP claimed
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
EP-1100797-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES Pfizer Limited (GB) 2001-05-23 EP claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
WO-2000005232-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LIMITED (GB) 2000-02-03 WO claimed
EP-0827507-B1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 1999-06-16 EP claimed
EP-0827507-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-03-11 EP claimed
WO-1996031527-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) 1996-10-10 WO claimed
US-5545640-A VIRICIDES, HIV; AIDS BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) 1996-08-13 US claimed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
EP-0758021-B1 Method for determining the therapeutic activity of metalloproteinase inhibitor compounds, new inhibitor compounds, and the therapeutic use thereof POLIFARMA SPA (IT) 2006-03-29 EP disclosed
US-6562964-B1 Inhibitors of rotamase enzymes in particular FKBP-12 and FKBP-52. The compounds therefore moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases or other disorders PFIZER INC 2003-05-13 US disclosed
EP-1100797-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LTD (GB) 2003-02-26 EP disclosed
EP-0827507-B1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 1999-06-16 EP disclosed
EP-0827507-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-03-11 EP disclosed
EP-0758021-A2 Method for determining the therapeutic activity of metalloproteinase inhibitor compounds, new inhibitor compounds, and the therapeutic use thereof POLIFARMA S.p.A. (IT) 1997-02-12 EP disclosed
WO-1996031527-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) 1996-10-10 WO disclosed
US-5545640-A VIRICIDES, HIV; AIDS BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) 1996-08-13 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 (1 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-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 ALOX15 2590/4885HPGD 2504/4885LMNA 1672/4885

“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.