SCHEMBL5649682

SCHEMBL5649682

NCCCNC(=O)c1ccc(-c2nc3c(O)cccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.54
FLT3 P36888 3/20 0.48
PARP1 P09874 10/20 0.46
ATR Q13535 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAD52 P43351 1/20 0.44
UHRF1 Q96T88 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
DHODH Q02127 1/20 0.43

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
SCHEMBL5652419 0.88 HPSE (0.57) MAPK8FLT3PARP1KDM4EHSD17B10
SCHEMBL5647867 0.84 TSHR (0.49) FLT3PARP1KDM4EHSD17B10RAD52
SCHEMBL5653408 0.84 FLT3 (0.48) MAPK8FLT3PARP1KDM4EHSD17B10
SCHEMBL5649940 0.83 FLT3 (0.48) MAPK8FLT3KDM4EHSD17B10
SCHEMBL5651896 0.83 FLT3 (0.48) MAPK8FLT3KDM4EHSD17B10
SCHEMBL5649669 0.82 MAPK8 (0.48) MAPK8FLT3ATRKDM4EHSD17B10
SCHEMBL5651511 0.81 KDM4E (0.54) PARP1KDM4E
SCHEMBL5651343 0.81 FLT3 (0.46) FLT3PARP1
SCHEMBL5651490 0.80 FLT3 (0.45) FLT3KDM4EHSD17B10HDAC3HDAC1
SCHEMBL5652034 0.79 FLT3 (0.58) MAPK8FLT3ATRKDM4EHSD17B10

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 MAPK8 1856/4885FLT3 1968/4885PARP1 3811/4885

“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.