SCHEMBL4170576

SCHEMBL4170576

Cc1cc(-c2nnc(Nc3ccc4c(c3)OCCO4)[nH]2)c([N+](=O)[O-])c(C)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.44
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
PKM P14618 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 5/20 0.38
STK17A Q9UEE5 1/20 0.37
LMNA P02545 4/20 0.37
MAPK1 P28482 1/20 0.37
PRMT1 Q99873 1/20 0.36
TP53 P04637 2/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4178050 0.78 KMT2A (0.51) FYNKMT2AMEN1PKML3MBTL1
SCHEMBL4163392 0.74 KMT2A (0.53) FYNKMT2AMEN1PKML3MBTL1
SCHEMBL4167669 0.73 KDR (0.51) FYNKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL13605665 0.68 FYN (0.47) FYNKMT2AMEN1NPC1RAB9A
SCHEMBL4187690 0.68 TUBB4A (0.50) NPC1RAB9AMAPT
SCHEMBL25375617 0.64 ALDH1A1 (0.53) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL30401270 0.64 ALDH1A1 (0.53) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL14868822 0.64 FYN (0.64) FYNKMT2AMEN1NPC1RAB9A
SCHEMBL11555376 0.64 MAPT (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4170631 0.64 TUBB4A (0.70) KMT2AMEN1PKMNPC1RAB9A

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-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

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 FYN 2776/4885KMT2A 2240/4885MEN1 543/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL FYN 2776/4885KMT2A 2240/4885MEN1 543/4885

“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.