SCHEMBL4729314

SCHEMBL4729314

CC(Nc1ccnc2cc(Cl)ccc12)C1CCCCN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.60
KMT5B Q4FZB7 1/20 0.55
KMT5C Q86Y97 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP2D6 P10635 3/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
NSD2 O96028 1/20 0.47
CYP2C19 P33261 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRNP P04156 1/20 0.46
APP P05067 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46

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
SCHEMBL1549844 0.97 NR4A2 (0.62) NR4A2KMT5BKMT5CSMN1; SMN2NPC1
SCHEMBL8835204 0.83 NR4A2 (0.55) NR4A2KMT5BKMT5CSMN1; SMN2NPC1
SCHEMBL10509345 0.75 CYP2D6 (0.54) NR4A2KMT5BKMT5CSMN1; SMN2NPC1
SCHEMBL10626077 0.74 CYP2D6 (0.45) NR4A2KMT5BKMT5CSMN1; SMN2NPC1
SCHEMBL3398399 0.73 NR4A2 (0.76) NR4A2CYP2D6CYP2C19TAAR1TDP1
SCHEMBL9271568 0.73 KMT5B (0.81) NR4A2KMT5BKMT5CSMN1; SMN2NPC1
SCHEMBL10891775 0.73 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3
SCHEMBL1613404 0.73 KMT5B (0.81) NR4A2KMT5BKMT5CSMN1; SMN2NPC1
SCHEMBL9540195 0.73 KMT5B (0.81) NR4A2KMT5BKMT5CSMN1; SMN2NPC1
SCHEMBL10509046 0.72 CYP2D6 (0.55) NR4A2KMT5BKMT5CSMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-5596002-A TREATMENT OF ANTIBIOTIC RESISTANT MICROORGANISMS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN NR4A2 2911/4885KMT5B 1183/4885KMT5C 909/4885

“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.