SCHEMBL5649151

SCHEMBL5649151

O=C(NN1CCCCC1)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.45
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC2 Q92769 2/20 0.45
HTT P42858 1/20 0.43
HPGD P15428 2/20 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
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
CHEK1 O14757 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL5652908 0.88 HTT (0.43) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL5652478 0.88 HDAC6 (0.48) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL5652259 0.88 PRSS12 (0.47) HDAC6HPGDMEN1CYP1A2MAPT
SCHEMBL5653237 0.85 HDAC6 (0.46) HDAC6HTTHPGDMEN1CYP1A2
SCHEMBL5651534 0.85 HTT (0.52) HDAC6HDAC3HDAC1HDAC8HTT
SCHEMBL5648451 0.85 CHEK2 (0.46) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL5652794 0.85 PRSS12 (0.41) HDAC6HPGDMEN1CYP1A2MAPT
SCHEMBL5647407 0.85 CNR1 (0.41) HDAC6CNR1
SCHEMBL5650806 0.83 SIRT2 (0.46) HDAC6HTTMEN1MAPTKMT2A
SCHEMBL5652027 0.83 HDAC6 (0.47) HDAC6HDAC3HDAC1HDAC8HDAC2

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 108/4885HDAC1 65/4885

“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.