SCHEMBL6328563

SCHEMBL6328563

CN1CCCC(c2noc(CCC(=O)O)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.40
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HSD11B1 P28845 1/20 0.37
MIF P14174 1/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.36
CCR5 P51681 1/20 0.36
FFAR1 O14842 1/20 0.36
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 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
SCHEMBL6431964 0.87 MIF (0.42) LDHAAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6332424 0.85 USP7 (0.46) LDHAAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6328194 0.81 ALDH1A1 (0.42) LDHAHSD11B1MIF
SCHEMBL13522014 0.80 HCRTR1 (0.40) LDHALMNATSHR
SCHEMBL6463331 0.80 MIF (0.40) MIFLMNAATMTSHRMITF
SCHEMBL13722228 0.79 MAP4K4 (0.40) LDHALMNATSHR
SCHEMBL17896790 0.77 MAP4K4 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6326318 0.77 MIF (0.40) MIFLMNAATMTSHRMITF
Oxalic Acid SCHEMBL10419843 0.74 HSD11B1 (0.50) HSD11B1TSHRTP53
SCHEMBL2600250 0.73 MAP4K4 (0.47) LMNATSHRCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 LDHA 805/4885AKR1C4 1249/4885AKR1C3 947/4885

“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.