SCHEMBL5651842

SCHEMBL5651842

COc1ccc2nc(-c3ccc(C(=O)NN4CCCCC4)cc3F)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 4/20 0.54
CHEK2 O96017 2/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FLT3 P36888 2/20 0.44
CHEK1 O14757 1/20 0.43
HDAC6 Q9UBN7 3/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
PRSS1 P07477 1/20 0.43
ATR Q13535 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 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
SCHEMBL5649782 0.90 CHEK2 (0.47) AMY1ACHEK2GFERNPSR1FLT3
SCHEMBL5648451 0.89 CHEK2 (0.46) AMY1ACHEK2GFERNPSR1FLT3
SCHEMBL5648702 0.86 SIRT2 (0.47) CHEK2GFERNPSR1FLT3CHEK1
SCHEMBL5650718 0.85 CHEK2 (0.58) CHEK2TP53POLB
SCHEMBL5652478 0.85 HDAC6 (0.48) NPSR1CHEK1HDAC6POLBMAPT
SCHEMBL5653257 0.84 HDAC6 (0.46) CHEK2FLT3CHEK1HDAC6ATR
SCHEMBL5650995 0.83 PRSS12 (0.47) NPSR1CHEK1HDAC6MAPT
SCHEMBL5651532 0.82 KDR (0.43) NPSR1HDAC6MAPT
SCHEMBL5653971 0.81 AMY1A (0.42) AMY1AHDAC6
SCHEMBL5651818 0.79 FOXO1 (0.42) AMY1AHDAC6POLBMAPTPRKAG1

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 AMY1A 4499/4885CHEK2 4002/4885GFER 217/4885

“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.