SCHEMBL4179364

SCHEMBL4179364

NCCCc1ccc2c(c1)c(=O)c(C(=O)O)cn2N

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
CHRM1 P11229 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 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
SCHEMBL5437272 0.84 KDM4E (0.60) TOP1LMNAKDM4EALDH1A1HPGD
SCHEMBL13799088 0.83 KDM4E (0.42) TOP1LMNAKDM4EALDH1A1HPGD
SCHEMBL3976165 0.83 KDM4E (0.59) TOP1LMNAKDM4EALDH1A1HPGD
SCHEMBL3976181 0.83 KDM4E (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL3288212 0.82 KDM4E (0.41) TOP1LMNAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL4171813 0.82 ALDH1A1 (0.44) TOP1LMNAKDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4180697 0.80 RXRA (0.44) TOP1LMNAKDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4169384 0.79 ALDH1A1 (0.46) TOP1LMNAKDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL3982421 0.79 KDM4E (0.55) TOP1LMNAKDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4180492 0.79 KDM4E (0.43) TOP1LMNAKDM4EALDH1A1HPGD

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-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 TOP1 596/4885LMNA 1055/4885KDM4E 3897/4885

“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.