SCHEMBL5654014

SCHEMBL5654014

CCOc1cc(C(=O)NN2CCCCC2)ccc1-c1nc2cc(Br)c(C)c(C)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 6/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
NR4A1 P22736 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE5A O76074 1/20 0.36
HDAC1 Q13547 1/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL5651630 0.91 MEN1 (0.41) HPSESMN1; SMN2POLBMEN1KMT2A
SCHEMBL5650045 0.88 HTT (0.38) HTTCNR1CNR2
SCHEMBL5654053 0.87 CNR1 (0.37) HTTCNR1CNR2
SCHEMBL5652381 0.85 CNR1 (0.36) HTTCNR1CNR2
SCHEMBL5651542 0.83 KMT2A (0.42) HPSESIRT2SIRT1SMN1; SMN2POLB
SCHEMBL5651564 0.82 HTT (0.41) SIRT2SIRT1HTTHDAC1CNR1
SCHEMBL5649910 0.80 FLT3 (0.42) HPSEKMT2ANAMPT
SCHEMBL5648605 0.80 RHEB (0.45) HPSESIRT2SIRT1SMN1; SMN2POLB
SCHEMBL5650806 0.80 SIRT2 (0.46) HPSESIRT2SIRT1SMN1; SMN2POLB
SCHEMBL5650184 0.80 HPSE (0.45) HPSESIRT2SIRT1SMN1; SMN2POLB

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 3728/4885SIRT2 360/4885SIRT1 300/4885

“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.