SCHEMBL3307167

SCHEMBL3307167

Cc1ccc(=O)n(-c2ccc(Br)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
KDM4E B2RXH2 2/20 0.67
CYP1A2 P05177 1/20 0.67
BLM P54132 1/20 0.67
MAPK14 Q16539 5/20 0.50
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.40
MGLL Q99685 2/20 0.39
FAAH O00519 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
F2 P00734 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL356681 0.90 ALDH1A1 (0.80) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL3970272 0.88 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
Pirfenidone SCHEMBL27872362 0.87 ALDH1A1 (0.83) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL3300511 0.83 ALDH1A1 (0.59) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL3302369 0.81 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL3975362 0.81 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL147877 0.81 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
Hydronidone SCHEMBL143564 0.81 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL9892413 0.81 ALDH1A1 (0.67) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL3306525 0.80 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10KDM4ECYP1A2

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 16 patents. 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
WO-2010045871-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA DIERETECH INVESTMENT LIMITED (CN) 2010-04-29 WO disclosed
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
US-20050158240-A1 Method for labeling with tritium NAGASAKI TOHRU (JP) 2005-07-21 US disclosed
US-20030194748-A1 Method for labeling with tritium SHIONOGI & CO., LTD. (JP) 2003-10-16 US disclosed
EP-1285902-A1 METHOD FOR LABELING WITH TRITIUM SHIONOGI & CO., LTD. (JP) 2003-02-26 EP 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-20030194748-A1 Method for labeling with tritium DUT, TK1, SSTR5 ALDH1A1 2402/4885HPGD 2547/4885HSD17B10 2730/4885
US-20100099719-A1 COMPOSITION AND METHOD FOR TREATING PROTEINURIA REN, PTPRF, PPM1F ALDH1A1 341/4885HPGD 666/4885HSD17B10 632/4885
US-20090005424-A9 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 ALDH1A1 485/4885HPGD 366/4885HSD17B10 685/4885
US-20080319027-A1 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 ALDH1A1 485/4885HPGD 366/4885HSD17B10 685/4885
US-20050158240-A1 Method for labeling with tritium DUT, TK1, SSTR5 ALDH1A1 2402/4885HPGD 2547/4885HSD17B10 2730/4885
US-20090258911-A1 COMPOSITION AND METHOD FOR TREATING FIBROTIC DISEASES COL1A1, COL2A1, MMP1 ALDH1A1 485/4885HPGD 366/4885HSD17B10 685/4885
US-20070203203-A1 Composition and Method for Treating Fibrotic Diseases COL1A1, COL2A1, MMP1 ALDH1A1 485/4885HPGD 366/4885HSD17B10 685/4885

“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.