SCHEMBL3706069

SCHEMBL3706069

O=C(CC1CCCC1)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
NAMPT P43490 1/20 0.49
CNR2 P34972 1/20 0.47
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
HSD11B1 P28845 1/20 0.46
HPGD P15428 1/20 0.45
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
HTT P42858 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
SCHEMBL3700457 1.00 KDM4E (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL12398 1.00 KDM4E (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL3704195 0.98 NAMPT (0.50) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL3707477 0.96 NAMPT (0.49) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL3698852 0.96 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL3704706 0.93 NAMPT (0.55) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL3711838 0.91 NAMPT (0.56) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL2678553 0.87 KDM4E (0.49) KDM4EALDH1A1HSD17B10NAMPTCNR2
SCHEMBL13688849 0.84 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10NAMPTCNR2
SCHEMBL3987956 0.84 KDM4E (0.50) KDM4EALDH1A1HSD17B10NAMPTCNR2

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-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS 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-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 KDM4E 3173/4885ALDH1A1 2689/4885HSD17B10 1849/4885

“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.