SCHEMBL4580331

SCHEMBL4580331

O=C1c2ccccc2C(=O)N1CCCCCCCCCC(c1ccccn1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTR1A P08908 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL2082558 0.73 MAOB (0.48) HSD17B10HTR1A
SCHEMBL2082949 0.73 MAOB (0.48) HSD17B10KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL2083743 0.73 MAOB (0.48) HSD17B10KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL8862878 0.73 TDP1 (0.75) CYP1A2TDP1L3MBTL1MEN1KMT2A
SCHEMBL2604742 0.73 TDP1 (0.75) CYP1A2TDP1L3MBTL1MEN1KMT2A
SCHEMBL8863094 0.73 TDP1 (0.75) CYP1A2TDP1L3MBTL1MEN1KMT2A
SCHEMBL6777483 0.73 TDP1 (0.75) CYP1A2TDP1L3MBTL1MEN1KMT2A
SCHEMBL8862728 0.73 TDP1 (0.75) CYP1A2TDP1L3MBTL1MEN1KMT2A
SCHEMBL8863154 0.73 TDP1 (0.75) CYP1A2TDP1L3MBTL1MEN1KMT2A
SCHEMBL2084036 0.72 HSD17B10 (0.46) HSD17B10KDM4ECYP1A2CYP3A4CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371852-B2 Alkyl-linked nucleotide compositions SERENEX, INC. (US) 2008-05-13 US disclosed
EP-1585754-A2 ALKYL-LINKED NUCLEOTIDE COMPOSITIONS Serenex, Inc. (US) 2005-10-19 EP disclosed
US-20040215009-A1 Alkyl-linked nucleotide compositions SERENEX, INC. (US) 2004-10-28 US disclosed
WO-2004065566-A2 ALKYL-LINKED NUCLEOTIDE COMPOSITIONS SERENEX, INC. (US) 2004-08-05 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-20040215009-A1 Alkyl-linked nucleotide compositions NT5C3B, NUDT1, NT5C2 HSD17B10 3614/4885KDM4E 4241/4885CYP1A2 4182/4885

“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.