SCHEMBL408080

SCHEMBL408080

CC(=O)CCn1nnnc1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.72
ALDH1A1 P00352 3/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
HDAC6 Q9UBN7 1/20 0.53
HPGD P15428 1/20 0.48
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
P2RX7 Q99572 3/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8947202 0.88 HSD11B1 (0.76) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL5593165 0.84 HSD11B1 (1.00) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL8947182 0.83 HSD11B1 (0.65) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL8947319 0.82 HSD11B1 (0.68) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL8947374 0.81 HSD11B1 (0.66) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL10972067 0.79 HSD11B1 (0.60) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL10635287 0.79 ALDH1A1 (0.68) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL4408289 0.79 ALDH1A1 (0.71) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL18496480 0.79 HSD11B1 (0.59) HSD11B1ALDH1A1POLBHTTHDAC6
SCHEMBL8947145 0.78 HSD11B1 (0.59) HSD11B1ALDH1A1POLBHTTHDAC6

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-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 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-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 HSD11B1 598/4885ALDH1A1 394/4885POLB 643/4885

“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.