SCHEMBL4180570

SCHEMBL4180570

COc1ccc(OC)c(Nc2nnc(-c3cccnc3N(CC3=COCO3)Cc3ccccc3)[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.33
SHMT2 P34897 1/20 0.33
MAPT P10636 7/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
PIK3CD O00329 1/20 0.32
LMNA P02545 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTK2B Q14289 1/20 0.32
GAA P10253 2/20 0.32
USP2 O75604 1/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL4175509 0.95 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10SMN1; SMN2POLB
SCHEMBL4179206 0.89 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL4173348 0.89 MEN1 (0.36) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL4176947 0.89 TUBB4A (0.35) CSF1R
SCHEMBL4181577 0.83 NOS1 (0.39) KDM4EALDH1A1HSD17B10MAPTHPGD
SCHEMBL4174291 0.83 CSF1R (0.38) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL4178495 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2POLB
SCHEMBL4178017 0.81 ALDH1A1 (0.32) ALDH1A1MAPTLMNAGAACSF1R
SCHEMBL4173778 0.77 KDM4E (0.36) KDM4EALDH1A1POLBMAPTMEN1
SCHEMBL4173168 0.76 MEN1 (0.37) ALDH1A1POLBMAPTMEN1KMT2A

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 KDM4E 2144/4885ALDH1A1 535/4885HSD17B10 1779/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDM4E 2144/4885ALDH1A1 535/4885HSD17B10 1779/4885

“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.