SCHEMBL5651558

SCHEMBL5651558

COc1cc(C(=O)NN2CCCCC2)ccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.45
RPS6KA2 Q15349 1/20 0.44
CHEK1 O14757 1/20 0.44
METAP2 P50579 2/20 0.43
CYP1A2 P05177 1/20 0.43
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
FOXO1 Q12778 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
BRAF P15056 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL5652493 0.91 SIRT2 (0.47) HDAC6RPS6KA2CHEK1HDAC3HDAC7
SCHEMBL5649813 0.88 HDAC6 (0.45) HDAC6RPS6KA2CHEK1HCRTR1HCRTR2
SCHEMBL5653257 0.87 HDAC6 (0.46) HDAC6RPS6KA2CHEK1HDAC3HDAC7
SCHEMBL5652027 0.86 HDAC6 (0.47) HDAC6RPS6KA2CHEK1HCRTR1HCRTR2
SCHEMBL5652225 0.85 METAP2 (0.43) METAP2CYP1A2FOXO1BRAFPDE7A
SCHEMBL5651481 0.84 DGAT1 (0.57) HDAC6DGAT1SOAT1KCNH2
SCHEMBL5653611 0.84 RHEB (0.49) HDAC6FOXO1PDE7A
SCHEMBL5653237 0.84 HDAC6 (0.46) HDAC6CYP1A2FOXO1HTTPDE7A
SCHEMBL5651818 0.82 FOXO1 (0.42) HDAC6FOXO1PDE7A
SCHEMBL5650908 0.81 FOXO1 (0.43) HDAC6FOXO1KDM4EPDE7A

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 537/4885RPS6KA2 1977/4885CHEK1 4591/4885

“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.