SCHEMBL19989006

SCHEMBL19989006

COC(=O)c1cc(N2CCOCC2)cc(Nc2c(C)c(C3CC3)nc3ccccc23)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.41
PIK3R2 O00459 1/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.39
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 5/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 3/20 0.38
PTK2 Q05397 2/20 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
SCHEMBL19988930 0.87 MAPT (0.44) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL19989182 0.85 MAPT (0.46) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL19988946 0.84 ADRA2A (0.47) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL19989217 0.83 MAPT (0.51) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL19989092 0.83 MAPT (0.52) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL19989021 0.82 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL19989175 0.81 MAPT (0.48) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL19989040 0.80 KDM4E (0.47) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL19989256 0.79 PIK3CA (0.41) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL19989328 0.79 GAA (0.46) MAPTMEN1KMT2ASMN1; SMN2GAA

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 146/4885MEN1 852/4885NPC1 1941/4885

“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.