SCHEMBL5654000

SCHEMBL5654000

CCN(CC)CCCNC(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 3/20 0.48
METAP2 P50579 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
FLT3 P36888 1/20 0.46
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MCHR1 Q99705 3/20 0.42
GAA P10253 1/20 0.41
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
TP53 P04637 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
SCHEMBL5653988 0.93 FLT3 (0.51) HTTROCK2ROCK1METAP2PRMT5
SCHEMBL5653255 0.93 FLT3 (0.45) HTTROCK2ROCK1METAP2PRMT5
SCHEMBL5651756 0.89 FLT3 (0.47) HTTMETAP2PRMT5WDR77FLT3
SCHEMBL5650988 0.88 FLT3 (0.47) HTTPRMT5WDR77FLT3HDAC4
SCHEMBL5650817 0.88 FLT3 (0.58) ROCK2ROCK1METAP2FLT3
SCHEMBL5651251 0.88 PRMT5 (0.50) HTTROCK2ROCK1PRMT5WDR77
SCHEMBL5651724 0.86 HTT (0.47) HTTROCK2ROCK1METAP2PRMT5
SCHEMBL5653244 0.86 FLT3 (0.51) HTTMETAP2PRMT5WDR77FLT3
SCHEMBL5653267 0.86 HDAC6 (0.53) FLT3HDAC4HDAC2HDAC8HDAC6
SCHEMBL5651716 0.85 METAP2 (0.49) HTTROCK2ROCK1METAP2PRMT5

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 4354/4885ROCK2 1536/4885ROCK1 1602/4885

“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.