SCHEMBL4180341

SCHEMBL4180341

CNc1ccc(-c2cc(-c3ccc(NC)cc3C)cc(-c3ccc(NC)cc3C)c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ESR2 Q92731 2/20 0.36
PDK2 Q15119 1/20 0.35
ESR1 P03372 1/20 0.34
NUDT1 P36639 1/20 0.34
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
KIF11 P52732 1/20 0.33
TSHR P16473 1/20 0.33
EGFR P00533 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
G6PD P11413 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP17A1 P05093 1/20 0.32
HSD17B1 P14061 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL15317985 0.88 KDM4E (0.44) KDM4EESR2PDK2ESR1TSHR
SCHEMBL26739579 0.85 ESR2 (0.55) KDM4EESR2PDK2SLC1A3SLC1A2
SCHEMBL28069072 0.78 CDC7 (0.40)
SCHEMBL2092210 0.75 POLB (0.50) GAAKMT2AL3MBTL1POLB
SCHEMBL29606739 0.75 POLB (0.50) GAAKMT2AL3MBTL1POLB
SCHEMBL27343853 0.74 CYP1A2 (0.44) PDK2NUDT1EGFRMEN1KMT2A
SCHEMBL4168384 0.74 ALDH1A1 (0.56) KDM4EMEN1KMT2AL3MBTL1POLB
Hydrochloric Acid SCHEMBL2867268 0.73 POLB (0.48) GAAKMT2AL3MBTL1POLB
SCHEMBL17178216 0.72 DRD1 (0.42) KDM4ETSHREGFRGAAL3MBTL1
SCHEMBL8739061 0.71 ESR1 (0.41) ESR1TSHREGFRMEN1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 US disclosed
US-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 US disclosed
US-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 US disclosed
WO-2007064227-A1 MULTIMERIC MAGENTIC RESONANCE CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-06-07 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-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS MAG, MSR1, FABP7 KDM4E 4443/4885ESR2 853/4885PDK2 2423/4885

“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.