SCHEMBL4918307

SCHEMBL4918307

O=C(O)N(CCCO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 2/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PAX8 Q06710 2/20 0.46
JAK2 O60674 1/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL5154776 0.90 ADRA2C (0.55) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL17473048 0.88 NPC1 (0.57) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL30957362 0.88 NPC1 (0.57) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL7791465 0.88 HDAC3 (0.51) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL7139664 0.85 ADRA2C (0.51) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL2892022 0.82 NPC1 (0.61) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL14488322 0.82 ADRA2C (0.45) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL894066 0.81 NPC1 (0.69) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL7995028 0.79 NPC1 (0.71) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL5509984 0.79 NPC1 (0.71) ADRA2CSMN1; SMN2MEN1KMT2ACYP3A4

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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 ADRA2C 1067/4885SMN1; SMN2 2665/4885MEN1 2447/4885

“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.