SCHEMBL4154463

SCHEMBL4154463

O=C(O)c1cn2c3c(cc(I)cc3c1=O)OCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.38
ADRA2B P18089 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
CYP2D6 P10635 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TOP2A P11388 2/20 0.36
TOP1 P11387 1/20 0.36
LMNA P02545 2/20 0.35
ALB P02768 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
AADAT Q8N5Z0 2/20 0.34
POLB P06746 2/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34

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
SCHEMBL8908261 0.85 KDM4E (0.48) KDM4EADRA2BMAPK1CYP1A2SMN1; SMN2
SCHEMBL1431372 0.83 KDM4E (0.43) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL2183758 0.79 MCL1 (0.49) KDM4ELMNA
SCHEMBL4884272 0.78 KDM4E (0.36) KDM4EADRA2BMAPK1CYP1A2ALDH1A1
SCHEMBL4175922 0.76 KDM4E (0.42) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL6724270 0.75 KDM4E (0.53) KDM4EADRA2BMAPK1CYP1A2SMN1; SMN2
SCHEMBL4149113 0.74 CNR1 (0.45) KDM4ECYP1A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL6671002 0.73 TOP1 (0.47) KDM4EADRA2BMAPK1ALDH1A1HPGD
SCHEMBL10330763 0.72 KDM4E (0.47) KDM4EADRA2BMAPK1CYP1A2SMN1; SMN2
SCHEMBL4886189 0.72 KDM4E (0.35) KDM4EADRA2BMAPK1CYP1A2SMN1; SMN2

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-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 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 (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-20090170791-A1 MACROLONES CYP51A1, MRPL21, LSS KDM4E 4180/4885ADRA2B 2266/4885MAPK1 2069/4885

“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.