SCHEMBL4385600

SCHEMBL4385600

Cc1ccc(CC=O)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
ALOX15 P16050 2/20 0.48
CYP3A4 P08684 2/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 1/20 0.43
SRC P12931 1/20 0.41
SLC6A4 P31645 6/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A3 Q01959 5/20 0.39
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALPG P10696 1/20 0.37
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35

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
Hydrochloric Acid SCHEMBL7420110 0.98 TDP1 (0.46) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL5032198 0.82 ALOX15 (0.56) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL30316721 0.82 ALOX15 (0.56) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL31176234 0.81 SRC (0.42) TDP1TP53SMN1; SMN2ALDH1A1SRC
SCHEMBL2561411 0.81 SRC (0.42) TDP1TP53SMN1; SMN2ALDH1A1SRC
SCHEMBL10225859 0.79 SRC (0.41) TDP1SMN1; SMN2ALDH1A1HSD17B10SRC
SCHEMBL26664979 0.79 TDP1 (0.48) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL15358717 0.78 CASP1 (0.39) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL29617187 0.78 ALOX15 (0.56) TDP1ALOX15CYP3A4TP53THRB
SCHEMBL4001757 0.78 ALOX15 (0.56) TDP1ALOX15CYP3A4TP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161782-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-08-31 WO disclosed
EP-2970206-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER Boston Biomedical, Inc. (US) 2016-01-20 EP disclosed
WO-2014160401-A1 3-(ARYL OR HETEROARYL) METHYLENEINDOLIN-2-ONE DERIVATIVES AS INHIBITORS OF CANCER STEM CELL PATHWAY KINASES FOR THE TREATMENT OF CANCER BOSTON BIOMEDICAL, INC. (US) 2014-10-02 WO disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 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 (1 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 TDP1 3183/4885ALOX15 928/4885CYP3A4 347/4885

“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.