SCHEMBL462934

SCHEMBL462934

ClN1CCC(c2nnc(-c3ccccc3)o2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ALOX15B O15296 1/20 0.52
POLB P06746 1/20 0.51
HDAC3 O15379 1/20 0.51
CYP2C9 P11712 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CYP2C19 P33261 1/20 0.50
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49
HSD11B1 P28845 1/20 0.47
TNKS O95271 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL17339930 0.86 POLB (0.55) ALDH1A1ALOX15BPOLBHDAC3CYP2C9
SCHEMBL5633461 0.81 HDAC3 (0.62) POLBHDAC3CYP2C9HDAC1HDAC6
SCHEMBL17288848 0.81 CYP2C19 (0.73) ALDH1A1ALOX15BPOLBCYP2C19HSD11B1
SCHEMBL2204217 0.80 CYP2C19 (0.54) ALDH1A1ALOX15BPOLBHDAC3CYP2C9
SCHEMBL13135854 0.79 HTR4 (0.60) ALDH1A1ALOX15BPOLBHDAC3CYP2C9
SCHEMBL16444566 0.78 CA1 (0.56) ALDH1A1ALOX15BPOLBHDAC3CYP2C9
SCHEMBL16456350 0.78 ALDH1A1 (0.56) ALDH1A1ALOX15BPOLBHDAC3CYP2C9
SCHEMBL407300 0.78 CYP2C19 (0.53) ALDH1A1ALOX15BHDAC3CYP2C9HDAC1
SCHEMBL15289091 0.78 CA1 (0.56) ALDH1A1ALOX15BPOLBHDAC3CYP2C9
SCHEMBL16455988 0.78 ALDH1A1 (0.56) ALDH1A1ALOX15BPOLBHDAC3CYP2C9

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
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT ALDH1A1 272/4885ALOX15B 603/4885POLB 2752/4885

“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.