SCHEMBL5653307

SCHEMBL5653307

NCCCNC(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.64
NPBWR1 P48145 1/20 0.48
CHEK2 O96017 2/20 0.48
MAPK8 P45983 1/20 0.46
P2RY14 Q15391 2/20 0.46
OPRD1 P41143 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ATR Q13535 1/20 0.46
DGAT1 O75907 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL5653300 0.92 FLT3 (0.72) FLT3NPBWR1CHEK2DGAT1KCNH2
SCHEMBL5650983 0.88 FLT3 (0.63) FLT3
SCHEMBL15245154 0.87 DGAT1 (0.50) FLT3NPBWR1CHEK2ATRDGAT1
SCHEMBL5652470 0.86 FLT3 (0.61) FLT3
SCHEMBL5651066 0.86 FLT3 (0.61) FLT3
SCHEMBL5653267 0.85 HDAC6 (0.53) FLT3NPBWR1SIGMAR1
SCHEMBL5650817 0.84 FLT3 (0.58) FLT3
SCHEMBL5652827 0.84 FLT3 (0.51) FLT3CHEK2MAPK8P2RY14OPRD1
SCHEMBL5652034 0.83 FLT3 (0.58) FLT3CHEK2MAPK8ATR
SCHEMBL5650115 0.83 FLT3 (0.57) FLT3

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 1968/4885NPBWR1 23/4885CHEK2 4002/4885

“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.