SCHEMBL4333225

SCHEMBL4333225

O=C(NO)C(O)C1Sc2ccccc2NC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 4/20 0.49
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 1/20 0.46
ESR1 P03372 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
PTPN7 P35236 1/20 0.46
RECQL P46063 1/20 0.46
ESR2 Q92731 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL4328480 0.84 HSD17B10 (0.56) MAPTGAAHSD17B10GLASMN1; SMN2
SCHEMBL4328406 0.77 KDM4E (0.64) MAPTGAAHSD17B10GLASMN1; SMN2
SCHEMBL4969852 0.73 MAPT (0.51) MAPTGAAHSD17B10GLASMN1; SMN2
SCHEMBL4321662 0.71 HSD17B10 (0.72) MAPTHSD17B10GLASMN1; SMN2HTT
SCHEMBL11034753 0.70 HSD17B10 (0.61) MAPTGAAHSD17B10GLASMN1; SMN2
SCHEMBL10358553 0.69 KDM4E (0.51) MAPTGAAHSD17B10GLASMN1; SMN2
SCHEMBL24125191 0.66 CREBBP (0.57) MAPTHSD17B10GLASMN1; SMN2HTT
SCHEMBL9024189 0.66 HSD17B10 (0.53) MAPTGAAHSD17B10GLASMN1; SMN2
SCHEMBL2745305 0.66 CREBBP (0.57) MAPTHSD17B10GLASMN1; SMN2HTT
SCHEMBL4325934 0.66 HSD17B10 (0.53) MAPTGAAHSD17B10GLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
CN-100471856-C Bicyclic compounds and compostions as PDF inhibitors IRM LLC (BM) 2009-03-25 CN disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
CN-1860116-A Bicyclic compounds and compostions as pdf inhibitors IRM LLC (BM) 2006-11-08 CN disclosed
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors IRM LLC 2005-09-08 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-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors PDF, FDPS, DCTPP1 MAPT 1048/4885GAA 574/4885HSD17B10 2730/4885
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS PDF, FDPS, DCTPP1 MAPT 2216/4885GAA 1163/4885HSD17B10 1950/4885

“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.