SCHEMBL5652027

SCHEMBL5652027

O=C(NN1CCCCC1)c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.47
HDAC3 O15379 2/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
RPS6KA2 Q15349 1/20 0.44
CHEK1 O14757 1/20 0.43
FLT3 P36888 1/20 0.42
KCNH2 Q12809 3/20 0.41
DGAT1 O75907 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
NPBWR1 P48145 1/20 0.41
ATR Q13535 1/20 0.41
CBFB Q13951 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
SOAT1 P35610 1/20 0.40
F9 P00740 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL5653257 0.90 HDAC6 (0.46) HDAC6HDAC3HDAC7HDAC10RPS6KA2
SCHEMBL5649813 0.89 HDAC6 (0.45) HDAC6HDAC3HDAC7HDAC10RPS6KA2
SCHEMBL5651558 0.86 HDAC6 (0.45) HDAC6HDAC3HDAC7HDAC10RPS6KA2
SCHEMBL5651481 0.86 DGAT1 (0.57) HDAC6KCNH2DGAT1NPBWR1SOAT1
SCHEMBL5649030 0.85 CBFB (0.43) HDAC6HDAC3HDAC7HDAC10CBFB
SCHEMBL5652493 0.84 SIRT2 (0.47) HDAC6HDAC3HDAC7HDAC10RPS6KA2
SCHEMBL5648451 0.83 CHEK2 (0.46) HDAC6HDAC3CHEK1FLT3HDAC1
SCHEMBL5652259 0.83 PRSS12 (0.47) HDAC6CHEK1CNR1CNR2
SCHEMBL5649151 0.83 HDAC6 (0.45) HDAC6HDAC3HDAC7HDAC10CHEK1
SCHEMBL5652794 0.81 PRSS12 (0.41) HDAC6CNR1CNR2

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 537/4885HDAC3 108/4885HDAC7 248/4885

“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.