SCHEMBL4167706

SCHEMBL4167706

CCOC(=O)c1cccnc1Nc1cc(OC)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
HTT P42858 4/20 0.58
MAPK1 P28482 3/20 0.58
PKM P14618 1/20 0.58
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MAPT P10636 9/20 0.54
GAA P10253 1/20 0.53
POLB P06746 1/20 0.52
TP53 P04637 1/20 0.48
CDC25B P30305 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
PPIA P62937 1/20 0.47
SIRT5 Q9NXA8 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL10377167 0.89 RAB9A (0.70) MEN1KMT2AHTTMAPK1PKM
SCHEMBL12478850 0.86 HTT (0.53) MEN1KMT2AHTTMAPK1PKM
SCHEMBL11833609 0.83 HTT (0.68) MEN1KMT2AHTTMAPK1RAB9A
SCHEMBL12478898 0.82 DHODH (0.65) MEN1KMT2AHTTMAPK1RAB9A
SCHEMBL4181112 0.82 MEN1 (0.62) MEN1KMT2AHTTMAPK1PKM
SCHEMBL26631994 0.82 HTT (0.54) MEN1KMT2AHTTMAPK1PKM
SCHEMBL26742261 0.81 HTT (0.56) MEN1KMT2AHTTMAPK1PKM
SCHEMBL15635590 0.81 MEN1 (0.58) MEN1KMT2AHTTMAPK1PKM
SCHEMBL17363143 0.81 MEN1 (0.58) MEN1KMT2AHTTMAPK1PKM
SCHEMBL12478838 0.80 RAB9A (0.65) MEN1KMT2AHTTMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 US disclosed
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 WO disclosed
WO-2004052280-A2 ANTI-ANGIOGENIC COMPOUNDS AND THEIR USE IN CANCER TREATMENT IMCLONE SYSTEMS INCORPORATED (US) 2004-06-24 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 (2 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL MEN1 543/4885KMT2A 2240/4885HTT 108/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL MEN1 543/4885KMT2A 2240/4885HTT 108/4885

“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.