SCHEMBL5326323

SCHEMBL5326323

O=C(Cn1nncc1-c1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41

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
SCHEMBL13307597 0.81 POLB (0.53) L3MBTL1HDAC1SMN1; SMN2TSHRKCNJ6
SCHEMBL5966816 0.76 CYP11B1 (0.56) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL5966710 0.76 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL13307601 0.75 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL18839787 0.73 POLB (0.67) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL3369575 0.72 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL17653844 0.71 RECQL (0.55) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL10413577 0.71 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL21606733 0.71 HSD11B1 (0.67) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1
SCHEMBL11456466 0.70 HMOX1 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1MAPK1

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 CYP1A2 4174/4885CYP2C9 4299/4885CYP2C19 4445/4885

“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.