SCHEMBL4841763

SCHEMBL4841763

COc1ccc(C(=O)N(C)OC)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
ABCG2 Q9UNQ0 4/20 0.55
MAPT P10636 5/20 0.54
TNFRSF1A P19438 1/20 0.54
USP2 O75604 1/20 0.53
MAPK1 P28482 1/20 0.53
TLR9 Q9NR96 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CLK1 P49759 1/20 0.52
DYRK1A Q13627 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52

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
SCHEMBL4833864 0.87 MAPT (0.58) KMT2AMEN1LMNATSHRABCG2
SCHEMBL15782821 0.86 KMT2A (0.44) NPC1KMT2AMEN1LMNACYP1A2
SCHEMBL4097250 0.86 MAPT (0.50) NPC1KMT2AMEN1LMNACYP1A2
SCHEMBL11653015 0.86 NPC1 (0.60) NPC1KMT2AMEN1LMNACYP1A2
SCHEMBL8817111 0.86 NPC1 (0.53) NPC1KMT2AMEN1LMNACYP1A2
SCHEMBL5767131 0.85 KMT2A (0.43) NPC1KMT2AMEN1LMNACYP1A2
SCHEMBL1436315 0.85 NPC1 (0.58) NPC1KMT2AMEN1LMNACYP1A2
SCHEMBL12857970 0.83 HTT (0.53) NPC1KMT2AMEN1LMNACYP1A2
SCHEMBL25343037 0.82 CTSL (0.45) NPC1KMT2AMEN1LMNACYP1A2
SCHEMBL6496479 0.82 ALDH1A1 (0.63) KMT2AMEN1LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236053-B2 NADPH oxidase inhibitors and uses thereof EMORY UNIVERSITY (US) 2022-02-01 US disclosed
US-20200270214-A1 NADPH Oxidase Inhibitors and Uses Thereof UNIV EMORY (US) 2020-08-27 US disclosed
WO-2019023448-A1 NADPH OXIDASE INHIBITORS AND USES THEREOF EMORY UNIVERSITY (US) 2019-01-31 WO disclosed
US-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 WO disclosed
US-5739336-A SELECTIVE 5-HYDROXYTRYPTAMINE-2C RECEPTOR ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1998-04-14 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 (3 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-20200270214-A1 NADPH Oxidase Inhibitors and Uses Thereof NOX1, NOX3, NOX5 NPC1 2534/4885KMT2A 2871/4885MEN1 4554/4885
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 NPC1 204/4885KMT2A 1683/4885MEN1 866/4885
US-11236053-B2 NADPH oxidase inhibitors and uses thereof NOX1, NOX3, NOX5 NPC1 2534/4885KMT2A 2871/4885MEN1 4554/4885

“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.