SCHEMBL13699688

SCHEMBL13699688

CC(C)(C)c1ccc2c(N)c(C(N)=O)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.50
ALDH1A1 P00352 8/20 0.50
HPGD P15428 5/20 0.50
HSD17B10 Q99714 3/20 0.50
LRRK2 Q5S007 1/20 0.49
IKBKB O14920 2/20 0.40
MAPT P10636 7/20 0.38
NPC1 O15118 6/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
RAB9A P51151 5/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
AHR P35869 1/20 0.38
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL13699689 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL13699685 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL20534970 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL13699669 0.76 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL4257410 0.76 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL13699674 0.76 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL13699686 0.76 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL13699683 0.76 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL20535434 0.74 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10LRRK2
SCHEMBL24845781 0.73 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 US disclosed
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 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-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE ADORA2A, ADORA2B, HTR1F KDM4E 4227/4885ALDH1A1 559/4885HPGD 3251/4885

“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.