SCHEMBL4163380

SCHEMBL4163380

NNC(=O)c1cccnc1OCc1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
KDM4E B2RXH2 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 2/20 0.55
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HPGD P15428 4/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
KDR P35968 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HSD17B10 Q99714 1/20 0.47
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4181116 0.82 TSHR (0.64) TSHRKDM4ENPSR1POLBLMNA
SCHEMBL7371419 0.73 POLB (0.64) TSHRKDM4ENPSR1POLBHPGD
SCHEMBL8487407 0.73 PDE4A (0.61) TSHRKDM4ENPSR1POLBLMNA
SCHEMBL5370365 0.72 PDE4A (0.60) TSHRKDM4ENPSR1POLBLMNA
SCHEMBL14974941 0.71 TSHR (0.50) TSHRKDM4ENPSR1POLBLMNA
SCHEMBL2728976 0.71 AURKA (0.67) TSHRKDM4EPOLBHPGDMAPK1
SCHEMBL7315086 0.71 CASP3 (0.67) KDM4ELMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL28628885 0.71 KMT2A (0.62) TSHRKDM4EPOLBLMNASMN1; SMN2
SCHEMBL14974629 0.71 TSHR (0.49) TSHRKDM4ENPSR1POLBLMNA
SCHEMBL5365073 0.70 PDE4A (0.63) TSHRKDM4ENPSR1POLBLMNA

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 7 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
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 TSHR 4678/4885KDM4E 2144/4885NPSR1 4807/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL TSHR 4678/4885KDM4E 2144/4885NPSR1 4807/4885

“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.