SCHEMBL7799131

SCHEMBL7799131

CCCCN(C)C(=O)c1cnc2c3c(ccc2c1)C(=O)C(C(=O)O)C=N3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NAMPT P43490 1/20 0.32
CSNK2A2 P19784 1/20 0.32
KDR P35968 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
TP53 P04637 2/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7799172 0.96 PDK2 (0.33) PDK2HSP90AA1
SCHEMBL7801055 0.90 HPGD (0.39) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL8437417 0.86 HCAR3 (0.33) LMNAALDH1A1HPGDKDM4ETP53
SCHEMBL7799355 0.86 HPGD (0.34) LMNAALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL7799119 0.85 MEN1 (0.43) ALDH1A1HPGDGAATSHR
SCHEMBL8531070 0.85 MEN1 (0.31) NPC1RAB9ALMNAALDH1A1HPGD
SCHEMBL7802386 0.83 KMT2A (0.40) RAB9ALMNAALDH1A1MAPT
SCHEMBL7801071 0.82 LRRK2 (0.33) NAMPT
SCHEMBL7793516 0.82 BCHE (0.34) PDK2NPC1RAB9ALMNAALDH1A1
SCHEMBL7793529 0.81 RIPK1 (0.37) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010001101-A1 Phenanthroline derivatives ZENECA LIMITED 2001-05-10 US disclosed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 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-20010001101-A1 Phenanthroline derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, COL1A1, COL2A1 PDK2 4076/4885NPC1 292/4885RAB9A 1686/4885

“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.