SCHEMBL4178050

SCHEMBL4178050

O=[N+]([O-])c1ccccc1-c1nnc(Nc2ccc3c(c2)OCCO3)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
FYN P06241 1/20 0.44
METAP2 P50579 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
DHODH Q02127 1/20 0.42
MAPT P10636 5/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 2/20 0.41
HTT P42858 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
BAZ1A Q9NRL2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4163392 0.81 KMT2A (0.53) KMT2AMEN1SMN1; SMN2FYNDHODH
SCHEMBL4170576 0.78 FYN (0.44) KMT2AMEN1SMN1; SMN2FYNMAPT
SCHEMBL2779313 0.75 SMN1; SMN2 (0.58) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL4170935 0.74 TUBB4A (0.57) KMT2AMEN1SMN1; SMN2METAP2GSK3A
SCHEMBL4185165 0.73 KDR (0.70) KMT2AMEN1MAPTALDH1A1
SCHEMBL4181581 0.73 MEN1 (0.43) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL4170704 0.71 ACHE (0.58) SMN1; SMN2GSK3AGSK3BNPC1RAB9A
SCHEMBL4180581 0.71 TUBB4A (0.66) KMT2AMEN1
SCHEMBL4181586 0.70 TUBB4A (0.55) KMT2AMEN1FYNNPC1RAB9A
SCHEMBL4170631 0.69 TUBB4A (0.70) KMT2AMEN1SMN1; SMN2MAPTNPC1

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 KMT2A 2240/4885MEN1 543/4885SMN1; SMN2 1114/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KMT2A 2240/4885MEN1 543/4885SMN1; SMN2 1114/4885

“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.