SCHEMBL4131070

SCHEMBL4131070

CC1CCc2cc(Br)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
CYP1A2 P05177 1/20 0.74
LMNA P02545 1/20 0.52
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALB P02768 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TUBB4A P04350 1/20 0.43
POLB P06746 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43

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
SCHEMBL4131074 1.00 KDM4E (0.74) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
SCHEMBL11750696 0.86 KDM4E (0.76) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
Flumequine SCHEMBL49829 0.85 KDM4E (1.00) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
Flumequine SCHEMBL29465201 0.85 KDM4E (1.00) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
SCHEMBL11751414 0.85 KDM4E (0.74) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
Flumequine SCHEMBL30767693 0.85 KDM4E (1.00) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
SCHEMBL11748080 0.85 KDM4E (0.74) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
Flumequine SCHEMBL49830 0.85 KDM4E (1.00) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
Flumequine SCHEMBL29024599 0.84 KDM4E (0.98) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
Flumequine SCHEMBL29171109 0.84 KDM4E (0.98) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111760-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-30 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-20090111760-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 KDM4E 3897/4885SMN1; SMN2 2560/4885CYP1A2 146/4885

“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.