SCHEMBL21153249

SCHEMBL21153249

CC(C)(C)Oc1ccc(/C(N)=N/O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
GFER P55789 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RECQL P46063 1/20 0.42
KDM1A O60341 2/20 0.42
GRIN2B Q13224 5/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2323018 0.81 GRIN2B (0.58) GAARAB9ALMNAKMT2AGFER
SCHEMBL2323020 0.81 GRIN2B (0.58) GAARAB9ALMNAKMT2AGFER
SCHEMBL2706137 0.81 GRIN2B (0.58) GAARAB9ALMNAKMT2AGFER
SCHEMBL103227 0.78 SMN1; SMN2 (0.63) GAARAB9ALMNAKMT2AGFER
SCHEMBL103228 0.78 SMN1; SMN2 (0.63) GAARAB9ALMNAKMT2AGFER
SCHEMBL8235372 0.76 PRSS1 (0.61)
SCHEMBL7769325 0.76 PARP10 (0.61) KMT2AALDH1A1
SCHEMBL21215222 0.76 KDM1A (0.60) GAARAB9ALMNAKMT2AGFER
SCHEMBL18615326 0.75 GAA (0.56) GAARAB9ALMNAKMT2AGFER
SCHEMBL19473029 0.74 RECQL (0.51) GAARAB9ALMNAKMT2AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-09 US disclosed
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-10745346-B2 Agonists of protein tyrosine phosphatase SHP-1 NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2020-08-18 US disclosed
US-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-07-11 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 (5 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-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 GAA 1984/4885RAB9A 4715/4885LMNA 3053/4885
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection VNN1, NGLY1, NUCB2 GAA 1984/4885RAB9A 4715/4885LMNA 3053/4885
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 GAA 1984/4885RAB9A 4715/4885LMNA 3053/4885
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 GAA 1984/4885RAB9A 4715/4885LMNA 3053/4885
US-10745346-B2 Agonists of protein tyrosine phosphatase SHP-1 PTPRCAP, PTPN18, PTPN1 GAA 3313/4885RAB9A 1139/4885LMNA 4879/4885

“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.