SCHEMBL6521346

SCHEMBL6521346

CCCCCCCCCCCCCCCCSCC(Nc1ccccn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CTSK P43235 1/20 0.39
MME P08473 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL6520453 0.85 GMNN (0.40) ALOX12POLB
SCHEMBL1925943 0.85 FDPS (0.43) SMN1; SMN2HTTALDH1A1NPC1RAB9A
SCHEMBL6522607 0.84 KDM4E (0.46) SMN1; SMN2HDAC1HDAC6ALDH1A1NPC1
SCHEMBL6524196 0.83 ICMT (0.35) ALDH1A1POLBKDM4E
SCHEMBL6524114 0.82 RAB9A (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AFDPS
SCHEMBL6521996 0.82 KDM4E (0.41) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL6518242 0.81 ICMT (0.38) POLB
SCHEMBL6524319 0.81 FDPS (0.42) SMN1; SMN2HTTNPC1RAB9AFDPS
SCHEMBL6527550 0.81 HCAR3 (0.38) SMN1; SMN2NPC1RAB9APOLB
SCHEMBL12793317 0.79 ITGB1 (0.48) SMN1; SMN2HTTNPC1RAB9APOLB

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-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
WO-2009102997-A2 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2009-08-20 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-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE MPO, CYSLTR1, HNMT ALOX12 1170/4885SMN1; SMN2 4449/4885HTT 3434/4885

“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.