SCHEMBL19989217

SCHEMBL19989217

COC(=O)c1cc(N2CCOCC2)cc(Nc2c(C)cnc3ccccc23)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
GAA P10253 7/20 0.51
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.42
MC4R P32245 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTK2B Q14289 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 2/20 0.41
CLK1 P49759 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 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
SCHEMBL19989021 0.92 MAPT (0.49) MAPTGAATP53SMN1; SMN2TDP1
SCHEMBL19989175 0.91 MAPT (0.48) MAPTGAATP53SMN1; SMN2TDP1
SCHEMBL19989182 0.89 MAPT (0.46) MAPTGAATP53SMN1; SMN2TDP1
SCHEMBL19989328 0.89 GAA (0.46) MAPTGAATP53SMN1; SMN2TDP1
SCHEMBL19988976 0.87 MAPT (0.45) MAPTGAATP53SMN1; SMN2TDP1
SCHEMBL19989437 0.86 MAPT (0.43) MAPTGAATP53SMN1; SMN2LMNA
SCHEMBL19989259 0.85 MAPT (0.43) MAPTGAATP53SMN1; SMN2TDP1
SCHEMBL19988946 0.84 ADRA2A (0.47) MAPTGAATP53SMN1; SMN2LMNA
SCHEMBL19988930 0.84 MAPT (0.44) MAPTGAATP53SMN1; SMN2LMNA
SCHEMBL19989006 0.83 MAPT (0.42) MAPTGAASMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018057808-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 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-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, TNNI3K MAPT 146/4885GAA 2943/4885TP53 734/4885

“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.