SCHEMBL4387539

SCHEMBL4387539

Cc1cc2ccc(Cl)cc2c(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
NR4A2 P43354 1/20 0.46
GAA P10253 1/20 0.42
CRHR1 P34998 2/20 0.39
TYMS P04818 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CYP2A6 P11509 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11792799 0.78 CYP2A6 (0.39) POLBNR4A2TYMSALDH1A1HSP90AA1
SCHEMBL7716192 0.77 SLC2A1 (0.47) POLBALDH1A1CYP2A6SMN1; SMN2
SCHEMBL1536340 0.77 L3MBTL1 (0.50) NR4A2GAAALDH1A1CYP2A6MAPK1
SCHEMBL30544379 0.77 L3MBTL1 (0.50) NR4A2GAAALDH1A1CYP2A6MAPK1
SCHEMBL28810567 0.75 CYP2A6 (0.37) POLBNR4A2TYMSALDH1A1CYP2A6
SCHEMBL23591238 0.74 ALDH1A1 (0.44) POLBGAAALDH1A1MAPK1SMN1; SMN2
SCHEMBL3964092 0.72 CCR1 (0.38) POLBNR4A2TYMSALDH1A1CYP2A6
SCHEMBL2987139 0.72 MAOA (0.42) POLBGAAALDH1A1MAPK1SMN1; SMN2
SCHEMBL15933155 0.71 POLB (0.53) POLBNR4A2GAACRHR1ALDH1A1
SCHEMBL16008294 0.71 CYP2A6 (0.39) ALDH1A1CYP2A6SMN1; SMN2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed
US-4067873-A TREATMENT OF ARRHYTHMIA, HYPERLIPOIDEMIA, HYPERGLYCEMIA, CORONARY DISEASE SANDOZ LTD. (CH) 1978-01-10 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 (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 POLB 821/4885NR4A2 3595/4885GAA 566/4885

“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.