SCHEMBL7865590

SCHEMBL7865590

CCOC(=O)c1nnc(-c2ccc(N)cc2)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
POLB P06746 2/20 0.57
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
HSD17B10 Q99714 7/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
TP53 P04637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TSHR P16473 2/20 0.47

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
SCHEMBL326764 0.88 CA1 (0.71) CA1CA2POLBHSD17B10NPC1
SCHEMBL165878 0.86 POLB (0.76) CA1CA2POLBLMNAHSD17B10
SCHEMBL31049616 0.86 CA1 (0.68) CA1CA2POLBHSD17B10NPC1
SCHEMBL167291 0.86 CA1 (0.68) CA1CA2POLBLMNAHSD17B10
SCHEMBL163935 0.86 CA1 (0.68) CA1CA2POLBHSD17B10NPC1
SCHEMBL28501879 0.86 CA1 (0.68) CA1CA2POLBLMNACYP1A2
SCHEMBL114885 0.85 CA1 (0.67) CA1CA2POLBHSD17B10NPC1
SCHEMBL11485622 0.84 CA1 (0.67) CA1CA2POLBLMNACYP1A2
SCHEMBL30949366 0.84 POLB (0.74) CA1CA2POLBLMNAHSD17B10
SCHEMBL12285143 0.84 CA1 (0.59) CA1CA2POLBCYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220112166-A1 Selective JAK2 Pseudokinase Ligands and Methods of Use YALE UNIVERSITY 2022-04-14 US disclosed
WO-2011133596-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-10-27 WO disclosed
WO-2010123933-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2010-10-28 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-20220112166-A1 Selective JAK2 Pseudokinase Ligands and Methods of Use JAK2, JAK1, MCL1 CA1 4819/4885CA2 4699/4885POLB 2456/4885

“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.