SCHEMBL5649782

SCHEMBL5649782

COc1ccc2nc(-c3ccc(C(=O)NN4CCCCC4)cc3C)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.47
GFER P55789 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DGAT1 O75907 1/20 0.46
APLNR P35414 2/20 0.44
CHEK1 O14757 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
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
AMY1A P0DUB6 2/20 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
SCHEMBL5648451 0.90 CHEK2 (0.46) CHEK2GFERNPSR1APLNRCHEK1
SCHEMBL5651842 0.90 AMY1A (0.54) CHEK2GFERNPSR1APLNRCHEK1
SCHEMBL5648702 0.87 SIRT2 (0.47) CHEK2GFERNPSR1APLNRCHEK1
SCHEMBL5650718 0.86 CHEK2 (0.58) CHEK2TP53POLBSIRT2SIRT1
SCHEMBL5652908 0.85 HTT (0.43) CHEK2NPSR1CHEK1HDAC6MAPT
SCHEMBL5649813 0.84 HDAC6 (0.45) DGAT1CHEK1HDAC6SIRT2SIRT1
SCHEMBL5650683 0.83 RHEB (0.47) PRKAG1PRKAA1PRKAB1CNR1CNR2
SCHEMBL5651035 0.83 PRSS12 (0.42) CNR1CNR2
SCHEMBL5650474 0.80 CNR1 (0.41) CNR1CNR2
SCHEMBL5653237 0.79 HDAC6 (0.46) NPSR1HDAC6TP53MAPTPRKAG1

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 CHEK2 4002/4885GFER 217/4885NPSR1 27/4885

“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.