SCHEMBL5652034

SCHEMBL5652034

NCCCNC(=O)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.58
MAPK8 P45983 1/20 0.55
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ATR Q13535 1/20 0.51
CHEK2 O96017 1/20 0.50
PRSS12 P56730 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL5649680 0.88 PRSS12 (0.61) FLT3PRSS12
SCHEMBL5650264 0.86 FLT3 (0.54) FLT3MAPK8KDM4EHSD17B10HDAC6
SCHEMBL5649825 0.85 FLT3 (0.53) FLT3MAPK8KDM4EHSD17B10HDAC3
SCHEMBL5651518 0.85 FLT3 (0.53) FLT3MAPK8KDM4EHSD17B10
SCHEMBL5652788 0.85 PRSS12 (0.54) FLT3CHEK2PRSS12
SCHEMBL5652793 0.85 PRSS12 (0.54) FLT3CHEK2PRSS12
SCHEMBL5649315 0.84 HDAC6 (0.54) CHEK2PRSS12HDAC8HDAC6
SCHEMBL5651798 0.84 PRSS12 (0.56) FLT3CHEK2PRSS12
SCHEMBL5651793 0.84 PRSS12 (0.56) FLT3MAPK8CHEK2PRSS12
SCHEMBL5653915 0.84 FLT3 (0.63) FLT3CHEK2

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 1968/4885MAPK8 1856/4885KDM4E 1605/4885

“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.