SCHEMBL4170941

SCHEMBL4170941

O=[N+]([O-])c1ccccc1-c1cnc(NC2=COC=C(C3=CC=CCC3)O2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
FAAH O00519 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 3/20 0.31
GAA P10253 3/20 0.31
MGAM O43451 1/20 0.31
POLB P06746 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 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
SCHEMBL4174337 0.85 VCP (0.30)
SCHEMBL4171231 0.78 VCP (0.35) ALDH1A1ABCB1LMNASMN1; SMN2
SCHEMBL4177940 0.76 HTR1A (0.35) ALDH1A1KMT2AMEN1POLB
SCHEMBL4181574 0.75 TUBB4A (0.36)
SCHEMBL4181018 0.75 FLT1 (0.36) ABCB1
SCHEMBL4170856 0.73
SCHEMBL4174880 0.66 TUBB4A (0.51) ACHE
SCHEMBL4184448 0.66 KDR (0.40)
SCHEMBL5336415 0.66 SYK (0.35)
SCHEMBL4170935 0.65 TUBB4A (0.57) NPC1RAB9AALDH1A1KMT2AMAPT

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-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
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 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 ACHE 2768/4885FAAH 3867/4885NPC1 465/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL ACHE 2768/4885FAAH 3867/4885NPC1 465/4885

“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.