SCHEMBL10149816

SCHEMBL10149816

O=c1[nH]nc(-c2ccc(N3CCSCC3)c([N+](=O)[O-])c2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
MAPT P10636 8/20 0.53
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.48
RAD52 P43351 1/20 0.48
LMNA P02545 5/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL10149846 0.90 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL10149834 0.89 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL3321650 0.89 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL10149821 0.87 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL10149819 0.87 MAPT (0.56) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL10149844 0.87 ALDH1A1 (0.70) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL10149843 0.85 TP53 (0.56) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL10149853 0.84 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL10149852 0.84 ALDH1A1 (0.73) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL10149827 0.84 ALDH1A1 (0.53) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171419-A1 ENHANCEMENT OF CELLULAR TRANSPLANTATION USING SMALL MOLECULE MODULATORS HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP (US) 2014-06-19 US disclosed
US-8193177-B2 Hepatocyte growth factor pathway activators in fibrotic connective tissue diseases ANGION BIOMEDICA CORP. (US) 2012-06-05 US disclosed
WO-2011019400-A2 ENHANCEMENT OF CELLULAR TRANSPLANTATION USING SMALL MOLECULE MODULATORS HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2011-02-17 WO disclosed
US-20100256117-A1 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN FIBROTIC CONNECTIVE TISSUE DISEASES ANGION BIOMEDICA CORP. 2010-10-07 US disclosed
US-20100137285-A1 SMALL MOLECULE MODULATORS OF CYTOKINE ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-03 US disclosed
US-7648978-B2 Modulates hepatocyte growth factor (HGF); fibrotic liver disease, hepatic ischemia-reperfusion injury, cerebral infarction, ischemic heart disease, renal disease or lung (pulmonary) fibrosis, multiple sclerosis; 4-[4-(1-homopiperidinyl)phenyl]-1-(2H)-phthalazinone ANGION BIOMEDICA CORP. (US) 2010-01-19 US disclosed
WO-2009064422-A2 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN FIBROTIC CONNECTIVE TISSUE DISEASES ANGION BIOMEDICA CORP. (US) 2009-05-22 WO 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 (3 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-20100137285-A1 SMALL MOLECULE MODULATORS OF CYTOKINE ACTIVITY HGF, IL2, IL2RA ALDH1A1 978/4885MAPT 3078/4885KMT2A 3896/4885
US-20100256117-A1 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN FIBROTIC CONNECTIVE TISSUE DISEASES HGF, HDGF, HGFAC ALDH1A1 1992/4885MAPT 4274/4885KMT2A 3623/4885
US-20140171419-A1 ENHANCEMENT OF CELLULAR TRANSPLANTATION USING SMALL MOLECULE MODULATORS HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY HGF, HDGF, MET ALDH1A1 743/4885MAPT 4685/4885KMT2A 3939/4885

“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.