SCHEMBL7963530

SCHEMBL7963530

CC(=O)NCCNC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
PAOX Q6QHF9 3/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CRBN Q96SW2 1/20 0.46
ADRA1A P35348 1/20 0.43
F13A1 P00488 1/20 0.39
CNR1 P21554 1/20 0.38
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL18902856 0.90 KDM4E (0.71) KDM4EMAPK1HIF1APAOXTSHR
SCHEMBL12522288 0.90 KDM4E (0.64) KDM4EMAPK1HIF1APAOXTSHR
SCHEMBL8107 0.85 KDM4E (0.71) KDM4EMAPK1HIF1APAOXTSHR
SCHEMBL175234 0.85 TDP1 (0.46) KDM4ETSHRALDH1A1CRBNMTNR1A
SCHEMBL4390998 0.79 KDM4E (0.50) KDM4EMAPK1HIF1APAOXTSHR
SCHEMBL9694938 0.79 KDM4E (0.50) KDM4EMAPK1HIF1APAOXTSHR
SCHEMBL4531919 0.79 KDM4E (0.50) KDM4EMAPK1HIF1APAOXTSHR
SCHEMBL20244913 0.78
SCHEMBL6286323 0.78
SCHEMBL13135941 0.78

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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO claimed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 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 (1 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 KDM4E 3873/4885MAPK1 3538/4885HIF1A 3371/4885

“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.