SCHEMBL4187730

SCHEMBL4187730

Nc1ccccc1-c1nnc(Nc2ccc3c(c2)OCCO3)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
NPC1 O15118 1/20 0.65
GLA P06280 1/20 0.65
GAA P10253 1/20 0.65
MAPT P10636 1/20 0.65
RAB9A P51151 1/20 0.65
KDR P35968 6/20 0.61
TUBB4A P04350 15/20 0.60
TUBB P07437 15/20 0.60
TUBA3C P0DPH7 15/20 0.60
TUBA1B P68363 15/20 0.60
TUBA4A P68366 15/20 0.60
TUBB4B P68371 15/20 0.60
TUBB3 Q13509 15/20 0.60
TUBB2A Q13885 15/20 0.60
TUBB8 Q3ZCM7 15/20 0.60
TUBA3E Q6PEY2 15/20 0.60
TUBA1A Q71U36 15/20 0.60
TUBA1C Q9BQE3 15/20 0.60
TUBB6 Q9BUF5 15/20 0.60

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
SCHEMBL4178559 0.93 KDM4E (0.65) KDM4ENPC1GLAGAAMAPT
SCHEMBL13605748 0.82 TUBB4A (0.48) KDM4ENPC1GLAGAAMAPT
SCHEMBL4174334 0.80 TUBB4A (0.62) KDM4ENPC1MAPTRAB9AKDR
SCHEMBL4187690 0.79 TUBB4A (0.50) KDM4ENPC1GLAGAAMAPT
SCHEMBL4180588 0.77 TUBB4A (0.61) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4178999 0.77 KDR (0.79) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4163521 0.77 KDR (1.00) GAAKDRTUBB4ATUBBTUBA3C
SCHEMBL4174866 0.76 TUBB4A (1.00) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4184439 0.76 KDR (0.81) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4177038 0.75 TUBB4A (0.60) KDRTUBB4ATUBBTUBA3CTUBA1B

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
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

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 KDM4E 2144/4885NPC1 465/4885GLA 390/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDM4E 2144/4885NPC1 465/4885GLA 390/4885

“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.