SCHEMBL5651036

SCHEMBL5651036

COc1cc(C(=O)NN2CCCCC2)ccc1-c1nc2cccc(O)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CLK1 P49759 1/20 0.41
PDE7A Q13946 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
HPSE Q9Y251 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 2/20 0.39
FOXO1 Q12778 1/20 0.39
POLB P06746 3/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5651542 0.90 KMT2A (0.42) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL5649122 0.88 HTT (0.40) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5650010 0.86 HTT (0.40) HDAC6NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5653237 0.82 HDAC6 (0.46) HDAC6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5651630 0.82 MEN1 (0.41) HDAC6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5652295 0.81 HTT (0.48) HDAC6KDM4EHPSEPOLBHTT
SCHEMBL5653611 0.80 RHEB (0.49) HDAC6SMN1; SMN2CLK1PDE7AMAPT
SCHEMBL5650016 0.80 MGAM (0.48) HDAC6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5650908 0.78 FOXO1 (0.43) HDAC6SMN1; SMN2CLK1PDE7AMAPT
SCHEMBL5651844 0.78 PDE2A (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT

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 537/4885NPC1 1699/4885RAB9A 3131/4885

“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.