SCHEMBL1611311

SCHEMBL1611311

CC(C)c1ccc(Cn2nccc2NC(=O)CCc2nnnn2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL1611441 0.88 HDAC1 (0.40) HSD11B1HDAC1HDAC6RAB9AALDH1A1
SCHEMBL1612419 0.85 HSD11B1 (0.43) HSD11B1HDAC1HDAC6RAB9AALDH1A1
SCHEMBL1611042 0.84 ALDH1A1 (0.39) HSD11B1HDAC1HDAC6ALDH1A1TP53
SCHEMBL1493574 0.76 TP53 (0.41) HSD11B1ALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL1612000 0.76 HTT (0.45) ALDH1A1SMN1; SMN2TP53LMNAHTT
SCHEMBL1612083 0.75 THRB (0.42) ALDH1A1SMN1; SMN2TP53LMNAHTT
SCHEMBL1493310 0.75 ALDH1A1 (0.42) HSD11B1ALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL1493414 0.74 HSD11B1 (0.45) HSD11B1ALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL1493469 0.73 MAPT (0.44) ALDH1A1SMN1; SMN2TP53HTTTSHR
SCHEMBL1493380 0.72 MAPT (0.45) HSD11B1ALDH1A1TP53LMNAHTT

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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HSD11B1 1201/4885HDAC1 442/4885HDAC6 604/4885

“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.