SCHEMBL12895259

SCHEMBL12895259

CC(CC(=O)Nc1sc2c(c1N)CCC(COC(=O)NC(C)c1ccccc1)C2)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
KCNA5 P22460 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TNIK Q9UKE5 1/20 0.35
TSHR P16473 1/20 0.34
ADRB3 P13945 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2C9 P11712 1/20 0.34
NAMPT P43490 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CHRM4 P08173 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL12895521 0.97 ALDH1A1 (0.42) KDM4EALDH1A1RAB9AKCNA5L3MBTL1
SCHEMBL12895522 0.97 KDM4E (0.43) KDM4EALDH1A1RAB9AKCNA5L3MBTL1
SCHEMBL1209445 0.90 ALDH1A1 (0.44) KDM4EALDH1A1RAB9AL3MBTL1TP53
SCHEMBL12895686 0.87 L3MBTL1 (0.50) KDM4EALDH1A1RAB9AL3MBTL1TP53
SCHEMBL1207507 0.87 ALDH1A1 (0.44) KDM4EALDH1A1RAB9AL3MBTL1TP53
SCHEMBL1208309 0.87 ALDH1A1 (0.46) KDM4EALDH1A1RAB9AL3MBTL1TP53
SCHEMBL12895523 0.85 RORC (0.40) KDM4EALDH1A1RAB9ATNIKTSHR
SCHEMBL14293237 0.85 KDM4E (0.42) KDM4EALDH1A1RAB9AADRB3KCNH2
SCHEMBL12895472 0.84 ALDH1A1 (0.39) KDM4EALDH1A1RAB9AL3MBTL1TSHR
SCHEMBL14293203 0.84 ALDH1A1 (0.39) KDM4EALDH1A1RAB9AKCNA5L3MBTL1

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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD KDM4E 2054/4885ALDH1A1 316/4885RAB9A 2531/4885

“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.