SCHEMBL5651534

SCHEMBL5651534

O=C(NN1CCCCC1)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
HDAC6 Q9UBN7 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
PRSS12 P56730 1/20 0.48
HPSE Q9Y251 1/20 0.48
CHEK2 O96017 9/20 0.47
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MMP8 P22894 2/20 0.45
MMP13 P45452 2/20 0.45

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
SCHEMBL5650704 0.88 PRSS12 (0.62) HDAC6PRSS12
SCHEMBL5649151 0.85 HDAC6 (0.45) HTTHDAC6HDAC3HDAC1HDAC8
SCHEMBL5652908 0.85 HTT (0.43) HTTHDAC6HDAC3HDAC1HDAC8
SCHEMBL5652478 0.85 HDAC6 (0.48) HTTHDAC6HDAC3HDAC1HDAC8
SCHEMBL5651985 0.84 PRSS12 (0.54) HDAC6HDAC3HDAC1HDAC8PRSS12
SCHEMBL5653630 0.84 PRSS12 (0.54) HDAC6PRSS12CHEK2
SCHEMBL5650718 0.84 CHEK2 (0.58) CHEK2SIRT2SIRT1
SCHEMBL5653237 0.83 HDAC6 (0.46) HTTHDAC6HPSE
SCHEMBL5651481 0.83 DGAT1 (0.57) HDAC6CHEK2
SCHEMBL5650806 0.81 SIRT2 (0.46) HTTHDAC6HPSECHEK2SIRT2

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 HTT 4354/4885HDAC6 537/4885HDAC3 108/4885

“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.