SCHEMBL3280689

SCHEMBL3280689

Cc1ccc2c(C=NO)c[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
HTT P42858 1/20 0.60
CCNT1 O60563 1/20 0.50
CDK9 P50750 1/20 0.50
HASPIN Q8TF76 1/20 0.50
PTGS2 P35354 1/20 0.48
RXFP3 Q9NSD7 1/20 0.47
NR4A2 P43354 1/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
CASP3 P42574 1/20 0.44
MAPT P10636 7/20 0.44
GAA P10253 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 2/20 0.42
PIM3 Q86V86 1/20 0.42
MEN1 O00255 4/20 0.41

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
SCHEMBL3280687 1.00 HPGD (0.60) HPGDHTTCCNT1CDK9HASPIN
SCHEMBL16881343 0.80 HPGD (0.60) HPGDHTTCCNT1CDK9HASPIN
SCHEMBL16881341 0.80 HPGD (0.60) HPGDHTTCCNT1CDK9HASPIN
SCHEMBL3083000 0.79 HTR2A (0.49) PTGS2RXFP3NR4A2SENP8SENP7
SCHEMBL29935657 0.77 PIM3 (0.65) CCNT1CDK9HASPINPTGS2NR4A2
SCHEMBL1049957 0.77 PIM3 (0.65) CCNT1CDK9HASPINPTGS2NR4A2
SCHEMBL2189141 0.75 HTT (1.00) HPGDHTTPTGS2SENP8SENP7
SCHEMBL2189137 0.75 HTT (1.00) HPGDHTTPTGS2SENP8SENP7
SCHEMBL31355128 0.75 HTT (1.00) HPGDHTTPTGS2SENP8SENP7
SCHEMBL5167169 0.75 HTT (1.00) HPGDHTTPTGS2SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 EP disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 WO disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 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-20080096953-A1 Vinylogous acid derivatives CMA1, TPSG1, GAA HPGD 192/4885HTT 4271/4885CCNT1 703/4885
US-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 HPGD 233/4885HTT 3379/4885CCNT1 430/4885

“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.