SCHEMBL2918231

SCHEMBL2918231

COC(=O)c1c[nH]c(=O)c2cc(F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.54
NR4A2 P43354 10/20 0.51
CREBBP Q92793 1/20 0.48
AXL P30530 3/20 0.45
MAP2K1 Q02750 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CHEK1 O14757 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2915155 0.94 NR4A2 (0.51) PARP1NR4A2CREBBPAXLMAP2K1
SCHEMBL22094219 0.84 KDM4E (0.49) PARP1KDM4EKMT2A
SCHEMBL31309128 0.84 KDM4E (0.49) PARP1KDM4EKMT2A
SCHEMBL2920231 0.83 KDM4E (0.62) PARP1KDM4EMEN1KMT2A
SCHEMBL4235843 0.82 NR4A2 (0.70) PARP1NR4A2CREBBPAXLMAP2K1
SCHEMBL995637 0.82 NR4A2 (0.70) NR4A2CREBBPKDM4EKMT2A
SCHEMBL926243 0.80 NR4A2 (0.68) PARP1NR4A2CREBBPAXLMAP2K1
SCHEMBL29875360 0.79 KDM4E (0.43) PARP1KDM4E
SCHEMBL22094511 0.78 KDM4E (0.49) PARP1KDM4EKMT2A
SCHEMBL31308913 0.78 KDM4E (0.49) PARP1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478624-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-08 EP disclosed
EP-1478624-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-08 EP disclosed
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
CN-100564358-C The method of a kind of preparation 4-(3, the 4-dichlorophenoxy) piperidines ASTRAZENECA AB (SE) 2009-12-02 CN disclosed
CN-100352807-C substituted piperidine compounds ASTRAZENECA AB (SE) 2007-12-05 CN disclosed
CN-1907968-A Method for making 4-(3,4-dichlorophenoxy)piperidine ASTRAZENECA AB (SE) 2007-02-07 CN disclosed
CN-1633414-A Compound (I) ASTRAZENECA AB (SE) 2005-06-29 CN disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 PARP1 3394/4885NR4A2 67/4885CREBBP 1421/4885

“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.