SCHEMBL19989182

SCHEMBL19989182

COC(=O)c1cc(N2CCOCC2)cc(Nc2c(C3CC3)cnc3ccccc23)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
GAA P10253 5/20 0.46
TP53 P04637 1/20 0.40
PIK3R2 O00459 1/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MC4R P32245 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTK2B Q14289 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.38
CLK1 P49759 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37

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 0.89 MAPT (0.49) MAPTGAATP53LMNASMN1; SMN2
SCHEMBL19989217 0.89 MAPT (0.51) MAPTGAATP53LMNASMN1; SMN2
SCHEMBL19989175 0.88 MAPT (0.48) MAPTGAATP53PIK3R2LMNA
SCHEMBL19989328 0.86 GAA (0.46) MAPTGAATP53LMNASMN1; SMN2
SCHEMBL19989006 0.85 MAPT (0.42) MAPTGAAPIK3R2LMNASMN1; SMN2
SCHEMBL19989437 0.83 MAPT (0.43) MAPTGAATP53LMNASMN1; SMN2
SCHEMBL19991578 0.81 IGF1R (0.47) MAPTGAASMN1; SMN2NPC1
SCHEMBL19988946 0.80 ADRA2A (0.47) MAPTGAATP53PIK3R2LMNA
SCHEMBL19988930 0.80 MAPT (0.44) MAPTGAATP53PIK3R2LMNA
SCHEMBL19991580 0.80 MAPT (0.43) MAPTGAATP53LMNASMN1; 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 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.