SCHEMBL10079689

SCHEMBL10079689

CC(=O)Nc1cccc(-n2cc(C#N)ccc2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
NOX4 Q9NPH5 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.43
NR4A1 P22736 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK14 Q16539 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
KDM1A O60341 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL10079862 0.91 EGLN2 (0.44) GAANOX4ALDH1A1MEN1MAPT
SCHEMBL13284152 0.89 ALDH1A1 (0.39) GAANOX4ALDH1A1MEN1MAPT
SCHEMBL10079863 0.86 MAPK14 (0.46) GAANOX4ALDH1A1MEN1MAPT
SCHEMBL10059377 0.82 ALDH1A1 (0.54) GAANOX4ALDH1A1MEN1MAPT
SCHEMBL4301308 0.81 NOX4 (0.49) GAANOX4ALDH1A1POLBNR4A1
SCHEMBL16474404 0.81 ALDH1A1 (0.52) GAANOX4ALDH1A1MEN1KMT2A
SCHEMBL10059512 0.81 GAA (0.49) GAANOX4ALDH1A1MAPTPOLB
SCHEMBL16474666 0.81 RAB9A (0.51) GAANOX4ALDH1A1MAPTPOLB
SCHEMBL25078424 0.80 GAA (0.51) GAANOX4ALDH1A1POLBNR4A1
SCHEMBL10079724 0.80 HSD17B1 (0.49) GAANOX4ALDH1A1MEN1KMT2A

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 9 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
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-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 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
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 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 (4 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-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS TNNI3, FABP3, TNNT2 GAA 2850/4885NOX4 72/4885ALDH1A1 94/4885
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 GAA 3571/4885NOX4 186/4885ALDH1A1 2054/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 GAA 3571/4885NOX4 186/4885ALDH1A1 2054/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 GAA 1687/4885NOX4 89/4885ALDH1A1 358/4885

“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.