SCHEMBL5653237

SCHEMBL5653237

COc1cc(C(=O)NN2CCCCC2)ccc1-c1nc2cc3ccccc3cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
HPSE Q9Y251 5/20 0.43
CLK1 P49759 1/20 0.43
FOXO1 Q12778 1/20 0.43
PDE7A Q13946 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL5650806 0.90 SIRT2 (0.46) HDAC6SMN1; SMN2NPC1TP53RAB9A
SCHEMBL5653611 0.89 RHEB (0.49) HDAC6SMN1; SMN2CLK1FOXO1PDE7A
SCHEMBL5652908 0.87 HTT (0.43) HDAC6MEN1CYP1A2MAPTCYP2C9
SCHEMBL5650908 0.86 FOXO1 (0.43) HDAC6SMN1; SMN2CLK1FOXO1PDE7A
SCHEMBL5651818 0.85 FOXO1 (0.42) HDAC6SMN1; SMN2CLK1FOXO1PDE7A
SCHEMBL5652478 0.85 HDAC6 (0.48) HDAC6MEN1CYP1A2MAPTCYP2C9
SCHEMBL5649151 0.85 HDAC6 (0.45) HDAC6MEN1CYP1A2MAPTCYP2C9
SCHEMBL5651558 0.84 HDAC6 (0.45) HDAC6FOXO1PDE7ACYP1A2HTT
SCHEMBL5651534 0.83 HTT (0.52) HDAC6HPSEHTT
SCHEMBL5651036 0.82 HDAC6 (0.43) HDAC6SMN1; SMN2NPC1TP53RAB9A

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-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 HDAC6 537/4885SMN1; SMN2 1510/4885NPC1 1699/4885

“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.