SCHEMBL13639055

SCHEMBL13639055

CCN(C)CCN(C)c1ccc(C(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
MCL1 Q07820 2/20 0.47
NOX1 Q9Y5S8 2/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PYCR1 P32322 1/20 0.41
MAOB P27338 2/20 0.38
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL3694137 0.84 MAPT (0.49) MAPTKMT2APOLBMEN1MCL1
SCHEMBL8350993 0.83 MAPT (0.54) MAPTKMT2APOLBMEN1MCL1
SCHEMBL13183511 0.82 GSK3B (0.47) MAPTKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL9725198 0.78 HSD17B10 (0.56) MAPTKMT2APOLBMEN1MCL1
SCHEMBL18806575 0.76 MAPT (0.66) MAPTKMT2APOLBMEN1MCL1
SCHEMBL18806570 0.75 MAPT (0.70) MAPTKMT2APOLBMEN1MCL1
SCHEMBL23328283 0.74 ALDH1A1 (0.52) MAPTMAPK1KDM4EL3MBTL1LMNA
SCHEMBL181431 0.74 MAPT (0.77) MAPTKMT2APOLBMEN1MCL1
SCHEMBL4322658 0.73 MAPT (0.49) MAPTKMT2APOLBMEN1MCL1
SCHEMBL8191180 0.72 MAPT (0.55) MAPTKMT2APOLBMEN1MCL1

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-8329159-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 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 (2 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-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS MAPT 4065/4885KMT2A 4516/4885POLB 1431/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS MAPT 4065/4885KMT2A 4516/4885POLB 1431/4885

“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.