SCHEMBL5652552

SCHEMBL5652552

CCN(CC)CCCNC(=O)c1ccc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.44
HDAC4 P56524 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HPSE Q9Y251 1/20 0.43
MAPT P10636 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
TSHR P16473 3/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42
IGF1R P08069 1/20 0.42
KMT2A Q03164 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
SCHEMBL5649826 0.89 GAA (0.43) HDAC6HDAC4HDAC2HDAC8HPSE
SCHEMBL5648656 0.88 GAA (0.42) HDAC6HDAC4HDAC2HDAC8HPSE
SCHEMBL5652799 0.87 GAA (0.41) HDAC6HDAC4HDAC2HDAC8MAPT
SCHEMBL5651895 0.86 MAPK8 (0.45) HDAC6HPSE
SCHEMBL5653201 0.85 PRMT5 (0.48) HPSEMAPTGAAKDM4EGLA
SCHEMBL5652549 0.85 HDAC6 (0.44) HDAC6HDAC4HDAC2HDAC8MAPT
SCHEMBL5652439 0.84 HPSE (0.44) HDAC6HPSEMAPTTSHRGAA
SCHEMBL5647634 0.83 ACKR3 (0.46) MAPTKDM4EHSD17B10KMT2AMAPK1
SCHEMBL5649050 0.82 HPSE (0.53) HDAC6HDAC4HDAC2HDAC8HPSE
SCHEMBL5647867 0.80 TSHR (0.49) HDAC6HDAC4HDAC2HDAC8HDAC3

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 537/4885HDAC4 249/4885HDAC2 100/4885

“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.