SCHEMBL6329449

SCHEMBL6329449

CCCCCCOC(=O)NC(=N)c1ccc(O)c(CNc2ncnc3cc(C(=O)N4CCCC4)ccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
HPGD P15428 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
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
PDE5A O76074 1/20 0.36
CNR2 P34972 4/20 0.36
CDK1 P06493 1/20 0.35
EGFR P00533 2/20 0.34
KDR P35968 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL6325719 0.90 CNR1 (0.47) CNR1HPGDALDH1A1LMNAHTT
SCHEMBL8312245 0.85 HPGD (0.36) CNR1HPGDALDH1A1LMNAHTT
SCHEMBL6329447 0.83 CNR1 (0.40) CNR1HPGDALDH1A1LMNAHTT
SCHEMBL2989697 0.82 HPGD (0.41) HPGDALDH1A1LMNAHTTNPC1
SCHEMBL2998619 0.80 F10 (0.46) HPGDALDH1A1LMNAHTTPDE5A
Hydrochloric Acid SCHEMBL6326771 0.80 F10 (0.45) HPGDALDH1A1LMNAHTTPDE5A
SCHEMBL6331854 0.79 CNR1 (0.44) CNR1HPGDALDH1A1CDK1EGFR
SCHEMBL2995881 0.78 PDE5A (0.36) CNR1HPGDALDH1A1LMNAHTT
SCHEMBL8311305 0.76 PDE5A (0.39) HPGDALDH1A1LMNAHTTMEN1
SCHEMBL6554618 0.76 ALDH1A1 (0.41) CNR1HPGDALDH1A1LMNAHTT

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 1428/4885ALDH1A1 1078/4885

“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.