SCHEMBL2134209

SCHEMBL2134209

CC(C)(C)c1cc([N+](=O)[O-])cc2c(=O)[nH]cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.52
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GALR3 O60755 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
CYP3A4 P08684 1/20 0.37
NAMPT P43490 1/20 0.37
XDH P47989 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PDPK1 O15530 1/20 0.35
IP6K1 Q92551 4/20 0.34
PIM1 P11309 2/20 0.34
RPS6KA3 P51812 2/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34

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
SCHEMBL665757 0.75 IP6K1 (0.54) PARP1MEN1KMT2AHTTBCL2
SCHEMBL27848556 0.74 PARP1 (0.48) PARP1MEN1KMT2ABCL2MCL1
SCHEMBL665602 0.74 PARP1 (0.48) PARP1MEN1KMT2AHTTBCL2
SCHEMBL2136081 0.73 MEN1 (0.47) MEN1KMT2AGALR3HTTSMN1; SMN2
SCHEMBL27848557 0.72 PARP1 (0.49) PARP1MEN1KMT2ABCL2MCL1
SCHEMBL9984314 0.70 PARP1 (0.77) PARP1SMN1; SMN2BCL2MCL1HPGD
SCHEMBL158065 0.69 PARP1 (1.00) PARP1SMN1; SMN2L3MBTL1CYP3A4NAMPT
SCHEMBL2262321 0.67 MEN1 (0.52) PARP1MEN1KMT2ABCL2MCL1
SCHEMBL31558243 0.67 PARP1 (0.47) PARP1MEN1KMT2ABCL2MCL1
SCHEMBL31000787 0.66 PARP1 (0.77) PARP1SMN1; SMN2CYP3A4NAMPTXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102448952-B Antiviral compounds and uses thereof ABBVIE (US) 2014-10-29 CN disclosed
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
EP-2421845-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LAB (US) 2013-04-17 EP disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 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-20120100104-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 PARP1 2119/4885MEN1 3996/4885KMT2A 4259/4885

“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.