SCHEMBL10059927

SCHEMBL10059927

O=c1ccc(-c2ccc(CO)nc2)cn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
BLM P54132 1/20 0.43
P2RX7 Q99572 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
NOTUM Q6P988 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
COMT P21964 2/20 0.38
IDH1 O75874 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE10A Q9Y233 2/20 0.36
PIK3CA P42336 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL10059940 0.85 MAPT (0.40) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL10059857 0.78 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL10079868 0.75 KDR (0.47) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL5114909 0.75 PIK3CA (0.46) P2RX7NOTUMPIK3CAPI4KAPI4KB
SCHEMBL10021078 0.75 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL10059563 0.74 GLO1 (0.48) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL10059871 0.73 ACMSD (0.47) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL10059518 0.73 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL10059957 0.72 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL10059523 0.71 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 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 (2 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 KDM4E 3381/4885ALDH1A1 2054/4885HPGD 529/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 KDM4E 1668/4885ALDH1A1 358/4885HPGD 439/4885

“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.