SCHEMBL5650993

SCHEMBL5650993

CCN(CC)CCCNC(=O)c1ccc(-c2nc3c(C)cccc3[nH]2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.49
APLNR P35414 1/20 0.44
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PIM1 P11309 1/20 0.44
GSK3A P49840 1/20 0.44
RPS6KA3 P51812 1/20 0.44
PRKCD Q05655 1/20 0.44
DYRK1A Q13627 1/20 0.44
PIM3 Q86V86 1/20 0.44
BRSK1 Q8TDC3 1/20 0.44
AURKB Q96GD4 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 6/20 0.43
MGAM O43451 4/20 0.43
SI P14410 4/20 0.43
MGAM2 Q2M2H8 4/20 0.43
TP53 P04637 3/20 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
SCHEMBL5650407 0.92 APLNR (0.47) HPSEAPLNRPRKD3PRKCGPIM1
SCHEMBL5650424 0.87 HPSE (0.50) HPSEAPLNRGAAMGAMSI
SCHEMBL5651370 0.87 HPSE (0.51) HPSEAPLNRPRKD3PRKCGPIM1
SCHEMBL5649826 0.86 GAA (0.43) HPSETSHRGAATP53KDM4E
SCHEMBL5654376 0.86 TSHR (0.43) TSHRGAATP53KDM4EHSD17B10
SCHEMBL5651004 0.86 TP53 (0.44) TSHRGAATP53KDM4EHSD17B10
SCHEMBL5649050 0.85 HPSE (0.53) HPSEPRKD3PRKCGPIM1GSK3A
SCHEMBL5651923 0.85 PRKD3 (0.45) APLNRPRKD3PRKCGPIM1GSK3A
SCHEMBL5650314 0.83 HDAC6 (0.47) TSHRGAATP53KDM4EHSD17B10
SCHEMBL5651963 0.82 HTT (0.47) HPSETSHRGAATP53KDM4E

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 HPSE 3728/4885APLNR 435/4885PRKD3 1980/4885

“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.