SCHEMBL6431964

SCHEMBL6431964

COC(=O)CCc1nc(C2CCCN(C)C2)no1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.42
LDHA P00338 1/20 0.38
PKM P14618 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MAP4K4 O95819 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HCRTR1 O43613 1/20 0.36
POLB P06746 2/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL6328563 0.87 LDHA (0.40) MIFLDHAAKR1C4AKR1C3AKR1C2
SCHEMBL6326298 0.86 MIF (0.45) MIFLDHAPOLBAKR1C4AKR1C3
SCHEMBL6323377 0.83 ALDH1A1 (0.44) MIFLDHAALDH1A1HPGDLMNA
SCHEMBL6326411 0.81 MIF (0.46) MIFHRH3POLBALDH1A1HPGD
SCHEMBL17896790 0.79 MAP4K4 (0.53) MAP4K4CNR2
SCHEMBL6324329 0.78 MIF (0.45) MIFPOLBALDH1A1HPGDLMNA
SCHEMBL13522014 0.78 HCRTR1 (0.40) LDHAMAP4K4HCRTR1POLBLMNA
SCHEMBL13722228 0.76 MAP4K4 (0.40) LDHAMAP4K4POLBLMNA
SCHEMBL6332208 0.75 MIF (0.44) MIFSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL24258686 0.74 MIF (0.42) MIFLDHAAKR1C4AKR1C3AKR1C2

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
EP-1423120-A4 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORP (US) 2005-12-28 EP disclosed
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
EP-1423120-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2004-06-02 EP disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 US disclosed
WO-2003015785-A1 2H-PHTHALAZIN-1-ONES AND METHODS FOR USE THEREOF ICOS CORPORATION (US) 2003-02-27 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 MIF 3556/4885LDHA 805/4885PKM 1006/4885

“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.