SCHEMBL5650016

SCHEMBL5650016

COc1cc(C(=O)NN2CCCCC2)ccc1-c1nc2c(C)cccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 7/20 0.48
GAA P10253 7/20 0.48
SI P14410 7/20 0.48
MGAM2 Q2M2H8 7/20 0.48
HPSE Q9Y251 1/20 0.45
PARP1 P09874 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CLK1 P49759 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL5652928 0.90 HPSE (0.53) MGAMGAASIMGAM2HPSE
SCHEMBL5650808 0.89 MGAM (0.48) MGAMGAASIMGAM2HPSE
SCHEMBL5651271 0.87 MGAM (0.50) MGAMGAASIMGAM2HPSE
SCHEMBL5652484 0.87 HPSE (0.48) MGAMGAASIMGAM2HPSE
SCHEMBL5651844 0.85 PDE2A (0.56) SMN1; SMN2NPC1TP53RAB9AKDM4E
SCHEMBL5651334 0.82 HPSE (0.57) MGAMGAASIMGAM2HPSE
SCHEMBL5653237 0.82 HDAC6 (0.46) HPSESMN1; SMN2NPC1TP53RAB9A
SCHEMBL5650908 0.82 FOXO1 (0.43) SMN1; SMN2KDM4EMAPTHDAC6CLK1
SCHEMBL5653611 0.80 RHEB (0.49) GAASMN1; SMN2MAPTHDAC6CLK1
SCHEMBL5651036 0.80 HDAC6 (0.43) GAAHPSESMN1; SMN2NPC1TP53

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 MGAM 3224/4885GAA 4139/4885SI 837/4885

“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.