SCHEMBL3301005

SCHEMBL3301005

Cc1ccc(=O)n(-c2c(F)cccc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.55
BLM P54132 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK14 Q16539 7/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
PDE7A Q13946 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7B Q9NP56 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 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
SCHEMBL3305068 0.81 ALDH1A1 (0.58) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL3306043 0.81 KDM4E (0.50) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL3300942 0.80 ALDH1A1 (0.58) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL3301738 0.78 ALDH1A1 (0.55) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL3305331 0.78 ALDH1A1 (0.55) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL3309318 0.77 KDM4E (0.50) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL3306607 0.75 HPGD (0.51) KDM4EALDH1A1CYP1A2HPGDBLM
Fluorofenidone SCHEMBL29420525 0.74 ALDH1A1 (0.64) KDM4EALDH1A1CYP1A2HPGDBLM
Fluorofenidone SCHEMBL1047536 0.74 ALDH1A1 (0.64) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL1504495 0.74 TTR (0.46) CYP1A2MAPK14TP53MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099719-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA DIEREPHARMA, INC. (US) 2010-04-22 US claimed
US-20090258911-A1 COMPOSITION AND METHOD FOR TREATING FIBROTIC DISEASES TAO LI JIAN 2009-10-15 US claimed
US-20090005424-A9 Composition and Method for Treating Fibrotic Diseases TAO LI J 2009-01-01 US claimed
EP-1878428-A1 1-(SUBSTITUTED PHENYL)-5- METHYL- 2 - (1H) PYRIDONE IN THE MANUFACTURE OF MEDICAMENTS FOR TREATING FIBROSIS IN ORGANS OR TISSUES Xiangya Hospital of Central South University (CN) 2008-01-16 EP claimed
US-20070203203-A1 Composition and Method for Treating Fibrotic Diseases TAO LI J 2007-08-30 US claimed
US-20100099719-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA DIEREPHARMA, INC. (US) 2010-04-22 US disclosed
US-20090258911-A1 COMPOSITION AND METHOD FOR TREATING FIBROTIC DISEASES TAO LI JIAN 2009-10-15 US disclosed
US-20090005424-A9 Composition and Method for Treating Fibrotic Diseases TAO LI J 2009-01-01 US disclosed
US-20080319027-A1 Composition and Method for Treating Fibrotic Diseases TAO LI JIAN 2008-12-25 US disclosed
EP-1878428-A1 1-(SUBSTITUTED PHENYL)-5- METHYL- 2 - (1H) PYRIDONE IN THE MANUFACTURE OF MEDICAMENTS FOR TREATING FIBROSIS IN ORGANS OR TISSUES Xiangya Hospital of Central South University (CN) 2008-01-16 EP disclosed
US-20070203203-A1 Composition and Method for Treating Fibrotic Diseases TAO LI J 2007-08-30 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 (5 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-20100099719-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA REN, PTPRF, PPM1F KDM4E 280/4885ALDH1A1 341/4885CYP1A2 837/4885
US-20090005424-A9 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 KDM4E 317/4885ALDH1A1 485/4885CYP1A2 557/4885
US-20080319027-A1 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 KDM4E 317/4885ALDH1A1 485/4885CYP1A2 557/4885
US-20090258911-A1 COMPOSITION AND METHOD FOR TREATING FIBROTIC DISEASES COL1A1, COL2A1, MMP1 KDM4E 317/4885ALDH1A1 485/4885CYP1A2 557/4885
US-20070203203-A1 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 KDM4E 317/4885ALDH1A1 485/4885CYP1A2 557/4885

“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.