SCHEMBL1467580

SCHEMBL1467580

CCOC(=O)CCCc1ccc(N2Cc3ccccc3C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
PKM P14618 3/20 0.54
HTR1A P08908 1/20 0.52
ADRA1A P35348 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
PGR P06401 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD1 P21728 1/20 0.49
HTT P42858 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL11641152 0.86 NPC1 (0.59) NPC1RAB9APKMHTR1AADRA1A
SCHEMBL1468030 0.86 TNF (0.49) NPC1RAB9APKMHTR1AADRA1A
SCHEMBL1467991 0.86 TNF (0.49) NPC1RAB9APKMHTR1AADRA1A
SCHEMBL1470282 0.85 FAAH (0.41) NPC1RAB9APKMHTR1AADRA1A
SCHEMBL28750163 0.84 HTR1A (0.52) NPC1RAB9APKMHTR1AADRA1A
SCHEMBL1468602 0.83 RAB9A (0.60) NPC1RAB9APKMHTR1AADRA1A
SCHEMBL1468193 0.83 CYP4Z1 (0.41) NPC1RAB9APKMHTR1AADRA1A
SCHEMBL1470284 0.83 CYP4Z1 (0.41) NPC1RAB9APKMHTR1AADRA1A
SCHEMBL1468613 0.83 CASP3 (0.45) KMT2ASMN1; SMN2LMNACYP2C19GAA
SCHEMBL1468434 0.83 CASP3 (0.45) KMT2ASMN1; SMN2LMNACYP2C19GAA

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-8722723-B2 Aromatic amide derivative RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-20110071304-A1 AROMATIC AMIDE DERIVATIVE RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-03-24 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-20110071304-A1 AROMATIC AMIDE DERIVATIVE NCOR2, NCOR1, EP300 NPC1 2827/4885RAB9A 1837/4885PKM 3633/4885

“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.