SCHEMBL5653988

SCHEMBL5653988

CCN(CC)CCCNC(=O)c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.51
METAP2 P50579 1/20 0.49
HTT P42858 1/20 0.49
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
F9 P00740 1/20 0.46
HDAC6 Q9UBN7 3/20 0.44
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MCHR1 Q99705 2/20 0.42

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
SCHEMBL5654000 0.93 HTT (0.49) FLT3METAP2HTTPRMT5WDR77
SCHEMBL5653244 0.93 FLT3 (0.51) FLT3METAP2HTTPRMT5WDR77
SCHEMBL5651747 0.89 FLT3 (0.53) FLT3METAP2HTTF9HDAC6
SCHEMBL5650980 0.88 FLT3 (0.53) FLT3HTTF9HDAC6HDAC4
SCHEMBL5651233 0.88 FLT3 (0.54) FLT3HTTPRMT5WDR77F9
SCHEMBL5650803 0.88 FLT3 (0.65) FLT3METAP2ROCK2ROCK1F9
SCHEMBL5651716 0.86 METAP2 (0.49) METAP2HTTPRMT5WDR77ROCK2
SCHEMBL5653255 0.86 FLT3 (0.45) FLT3METAP2HTTPRMT5WDR77
SCHEMBL5653261 0.86 FLT3 (0.55) FLT3F9HDAC6HDAC4HDAC2
SCHEMBL5651724 0.85 HTT (0.47) METAP2HTTPRMT5WDR77ROCK2

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 FLT3 1968/4885METAP2 3311/4885HTT 4354/4885

“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.