SCHEMBL3708748

SCHEMBL3708748

COC(=O)c1cc(Cl)ccc1NC(=O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
HTT P42858 1/20 0.58
ABL1 P00519 1/20 0.50
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NR4A2 P43354 2/20 0.44
GAA P10253 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LPAR1 Q92633 1/20 0.44

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
SCHEMBL9227218 0.88 ALDH1A1 (0.71) KDM4EALDH1A1HTTABL1MEN1
SCHEMBL3825804 0.84 KDM4E (0.69) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5928677 0.83 KDM4E (0.71) KDM4EALDH1A1HTTABL1HSD17B10
SCHEMBL29293876 0.82 HPGD (0.54) KDM4EALDH1A1ABL1HSD17B10MEN1
SCHEMBL3698033 0.82 ALDH1A1 (0.58) KDM4EALDH1A1HTTHSD17B10MEN1
SCHEMBL29441244 0.82 ALDH1A1 (0.64) KDM4EALDH1A1HTTHSD17B10MEN1
SCHEMBL22636373 0.82 ALDH1A1 (0.64) KDM4EALDH1A1HTTHSD17B10MEN1
SCHEMBL3583643 0.81 ABL1 (0.53) KDM4EALDH1A1HTTABL1HSD17B10
SCHEMBL4737582 0.80 ALDH1A1 (0.50) KDM4EALDH1A1ABL1HSD17B10TSHR
SCHEMBL10364497 0.79 GAA (0.65) KDM4EALDH1A1ABL1HSD17B10MEN1

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-8609674-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067824-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122890-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122890-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNQ3 KDM4E 854/4885ALDH1A1 2393/4885HTT 2030/4885

“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.