SCHEMBL3106332

SCHEMBL3106332

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNC(=S)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ PTGS2 P35354 8/20 0.51
▸ POLB P06746 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 1/20 0.48

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
SCHEMBL3106329 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL7173488 0.81 ALDH1A1 (0.66) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL3106340 0.76 PTGS2 (0.53) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL3267048 0.72 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL1224858 0.71 ALDH1A1 (1.00) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL1224417 0.71 ALDH1A1 (0.77) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL7058846 0.69 TSHR (0.72) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL3637872 0.69 GHSR (0.80) PTGS2
SCHEMBL1225210 0.68 ALDH1A1 (0.72) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL11894104 0.68 POLB (0.77) ALDH1A1KDM4EGAAMAPTTDP1

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-20050096372-A1 Small-molecule modulators of hepatocyte growth factor/scatter factor activities PILLARISETTI SIVARAM (US) 2005-05-05 — — US claimed
US-20030216459-A1 Small-molecule modulators of hepatocyte growth factor / scatter factor activities THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2003-11-20 — — US claimed
US-20030045559-A1 Small-molecule modulators of hepatocyte growth factor / scatter factor activities NORTH SHORE-LONG ISLAND JEWISH HEALTH SYSTEM 2003-03-06 — — US claimed
US-8193177-B2 Hepatocyte growth factor pathway activators in fibrotic connective tissue diseases ANGION BIOMEDICA CORP. (US) 2012-06-05 — — US disclosed
US-20100256117-A1 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN FIBROTIC CONNECTIVE TISSUE DISEASES ANGION BIOMEDICA CORP. 2010-10-07 — — US disclosed
WO-2009064422-A2 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN FIBROTIC CONNECTIVE TISSUE DISEASES ANGION BIOMEDICA CORP. (US) 2009-05-22 — — WO disclosed
US-20050096372-A1 Small-molecule modulators of hepatocyte growth factor/scatter factor activities PILLARISETTI SIVARAM (US) 2005-05-05 — — US disclosed
US-6855728-B2 Small-molecule modulators of hepatocyte growth factor / scatter factor activities NORTH SHORE-LONG ISLAND JEWISH HEALTH SYSTEM (US) 2005-02-15 — — US disclosed
US-20030216459-A1 Small-molecule modulators of hepatocyte growth factor / scatter factor activities THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2003-11-20 — — 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-20030045559-A1 Small-molecule modulators of hepatocyte growth factor / scatter factor activities HGF, HDGF, MET ALDH1A1 510/4885KDM4E 4594/4885GAA 2947/4885
US-20030216459-A1 Small-molecule modulators of hepatocyte growth factor / scatter factor activities HGF, HDGF, MET ALDH1A1 510/4885KDM4E 4594/4885GAA 2947/4885
US-20050096372-A1 Small-molecule modulators of hepatocyte growth factor/scatter factor activities HGF, HDGF, MET ALDH1A1 510/4885KDM4E 4594/4885GAA 2947/4885
US-20100256117-A1 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN FIBROTIC CONNECTIVE TISSUE DISEASES HGF, HDGF, HGFAC ALDH1A1 1992/4885KDM4E 4513/4885GAA 3118/4885

“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.

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