SCHEMBL5653967

SCHEMBL5653967

O=C(NN1CCCCC1)c1ccc(-c2nc3ncccc3[nH]2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
PRMT5 O14744 1/20 0.41
PDE5A O76074 4/20 0.41
HPSE Q9Y251 1/20 0.40
HTT P42858 1/20 0.40
PDE2A O00408 1/20 0.39
CNR1 P21554 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL5653824 0.88 AURKA (0.45) AURKAPRMT5PDE5AHPSEHTT
SCHEMBL5650901 0.88 AURKA (0.45) AURKAPRMT5PDE5AHPSEHTT
SCHEMBL5651844 0.86 PDE2A (0.56) AURKAPRMT5PDE5APDE2APDE4A
SCHEMBL5652807 0.84 PDE5A (0.53) AURKAPDE5AHTTPDE2APDE4A
SCHEMBL5652484 0.83 HPSE (0.48) HPSEHTTHPGDKDM4EALDH1A1
SCHEMBL5651444 0.83 PRMT5 (0.59) AURKAPRMT5HPSEHTT
SCHEMBL5649151 0.81 HDAC6 (0.45) HTTCNR1MAPK8MAPK10MEN1
SCHEMBL5652259 0.79 PRSS12 (0.47) CNR1MEN1CYP1A2HPGDKMT2A
SCHEMBL5650010 0.77 HTT (0.40) HTTCNR1MEN1CYP1A2HPGD
SCHEMBL5652794 0.76 PRSS12 (0.41) CNR1MEN1CYP1A2HPGDKMT2A

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 AURKA 4787/4885PRMT5 448/4885PDE5A 3793/4885

“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.