SCHEMBL3302828

SCHEMBL3302828

Cc1cccc(-n2cc(C)ccc2=O)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 3/20 0.70
HPGD P15428 2/20 0.70
HSD17B10 Q99714 2/20 0.70
CYP1A2 P05177 1/20 0.70
BLM P54132 1/20 0.70
HSP90AA1 P07900 1/20 0.50
MGLL Q99685 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALKBH5 Q6P6C2 1/20 0.43
ALOX5 P09917 2/20 0.42
MAPK14 Q16539 1/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 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
SCHEMBL10025186 0.92 KDM4E (0.75) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL10059948 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL3310642 0.86 KDM4E (0.66) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL10059729 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL3303375 0.84 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
Fluorofenidone SCHEMBL1047536 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL3300493 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
Fluorofenidone SCHEMBL29420525 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL10059349 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL3301674 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045871-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA DIERETECH INVESTMENT LIMITED (CN) 2010-04-29 WO claimed
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-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
EP-2296653-B1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE INC (US) 2016-01-27 EP disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20140235637-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2014-08-21 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
WO-2009149188-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-10 WO 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
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 (8 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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 ALDH1A1 2054/4885KDM4E 3381/4885HPGD 529/4885
US-20100099719-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA REN, PTPRF, PPM1F ALDH1A1 341/4885KDM4E 280/4885HPGD 666/4885
US-20090005424-A9 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 ALDH1A1 485/4885KDM4E 317/4885HPGD 366/4885
US-20080319027-A1 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 ALDH1A1 485/4885KDM4E 317/4885HPGD 366/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 ALDH1A1 2054/4885KDM4E 3381/4885HPGD 529/4885
US-20140235637-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 ALDH1A1 2054/4885KDM4E 3381/4885HPGD 529/4885
US-20090258911-A1 COMPOSITION AND METHOD FOR TREATING FIBROTIC DISEASES COL1A1, COL2A1, MMP1 ALDH1A1 485/4885KDM4E 317/4885HPGD 366/4885
US-20070203203-A1 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 ALDH1A1 485/4885KDM4E 317/4885HPGD 366/4885

“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.