SCHEMBL176023

SCHEMBL176023

COC(=O)CNC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MAPT P10636 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
XDH P47989 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SOST Q9BQB4 1/20 0.46
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
P2RY6 Q15077 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
ESRRG P62508 1/20 0.43
SLC22A2 O15244 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
SCHEMBL10528940 0.88 KDM4E (0.66) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL12468396 0.84 KDM4E (0.76) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL15227681 0.82 KDM4E (0.54) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL8947242 0.80 KMT2A (0.67) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL18874371 0.78 LMNA (0.49) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL18837907 0.77 HDAC2 (0.48) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL3019329 0.77 PTPN11 (0.53) KDM4EMAPTTSHRHSD17B10GAA
SCHEMBL11432192 0.75 NPC1 (0.67) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL8718154 0.74 EGLN1 (0.64) KDM4EMAPTXDHTSHRMEN1
SCHEMBL24224262 0.74 KMT2A (0.59) KDM4EMAPTHIF1ASLC22A6SLC22A8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597361-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2020-03-24 US disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 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 (3 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-10597361-B2 Ethynylbenzene derivatives Q6ZSR9, EPX, ZYX KDM4E 2149/4885MAPT 4533/4885HIF1A 4329/4885
US-20170349544-A1 Ethynylbenzene Derivatives Q6ZSR9, EPX, ZYX KDM4E 2149/4885MAPT 4533/4885HIF1A 4329/4885
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES Q6ZSR9, EPX, ZYX KDM4E 2149/4885MAPT 4533/4885HIF1A 4329/4885

“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.