SCHEMBL6329447

SCHEMBL6329447

CCCCCCOC(=O)NC(=N)c1ccc(O)c(C(N)c2ncnc3cc(C(=O)N4CCCC4)ccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.40
HPGD P15428 6/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMYD3 Q9H7B4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 4/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6325717 0.90 CNR1 (0.42) CNR1HPGDNPC1RAB9AALDH1A1
SCHEMBL6329449 0.83 CNR1 (0.43) CNR1HPGDNPC1RAB9AALDH1A1
SCHEMBL2989696 0.82 HPGD (0.37) HPGDNPC1RAB9AALDH1A1KMT2A
SCHEMBL2998615 0.80 F10 (0.43) HPGDALDH1A1F10PRSS1LMNA
SCHEMBL2995879 0.78 F10 (0.32) F10PRSS1
SCHEMBL6325719 0.74 CNR1 (0.47) CNR1HPGDALDH1A1SMYD3MEN1
SCHEMBL3000533 0.74 HPGD (0.33) HPGDALDH1A1MEN1KMT2ACNR2
SCHEMBL2991621 0.71 F10 (0.39) HPGDMEN1KMT2AL3MBTL1F10
SCHEMBL27012500 0.69 SIRT2 (0.49)
SCHEMBL8312245 0.69 HPGD (0.36) CNR1HPGDNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 CNR1 582/4885HPGD 1428/4885NPC1 1892/4885

“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.