SCHEMBL3676096

SCHEMBL3676096

[O]C(=O)Oc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
P4HTM Q9NXG6 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 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
SCHEMBL450118 0.84 CES2 (0.46) CES2CES1P4HTMLMNAL3MBTL1
SCHEMBL11865903 0.84 CES2 (0.46) CES2CES1P4HTMLMNAL3MBTL1
SCHEMBL28960343 0.83 CES2 (0.45) CES2CES1P4HTMLMNAL3MBTL1
SCHEMBL101751 0.83 LMNA (0.48) CES2CES1P4HTMLMNAL3MBTL1
SCHEMBL7351837 0.81 CES2 (0.43) CES2CES1P4HTMLMNAL3MBTL1
SCHEMBL519065 0.81 CES2 (0.43) CES2CES1P4HTMLMNAL3MBTL1
SCHEMBL253858 0.81 CES2 (0.43) CES2CES1P4HTMLMNAL3MBTL1
SCHEMBL2523378 0.81 CES2 (0.43) CES2CES1P4HTMLMNAL3MBTL1
SCHEMBL6243649 0.81 CES2 (0.43) CES2CES1P4HTMLMNAL3MBTL1
SCHEMBL7521569 0.81 CES2 (0.48) CES2CES1P4HTMLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 CN disclosed
WO-2023286855-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2023-01-19 WO disclosed
US-20120264678-A1 METHODS OF USING [3.2.0] HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF FOR TREATING INFECTIOUS DISEASES NEREUS PHARMACEUTICALS, INC. (US) 2012-10-18 US disclosed
US-20100168046-A1 METHODS OF USING [3.2.0] HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF FOR TREATING INFECTIOUS DISEASES NEREUS PHARMACEUTICALS, INC. (US) 2010-07-01 US disclosed
WO-2008137780-A2 USE OF [3.2.0] HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF FOR TREATING INFECTIOUS DISEASES NEREUS PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
US-20080280968-A1 METHODS OF USING [3.2.0] HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF FOR TREATING INFECTIOUS DISEASES NEREUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008124699-A1 A METHOD OF USING PROTEASOME INHIBITORS IN COMBINATION WITH HISTONE DEACETYLASE INHIBITORS TO TREAT CANCER NEREUS PHARMACEUTICALS, INC. (US) 2008-10-16 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 (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-20120264678-A1 METHODS OF USING [3.2.0] HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF FOR TREATING INFECTIOUS DISEASES GOT2, CYP11B2, CYP27A1 CES2 37/4885CES1 93/4885P4HTM 1318/4885
US-20100168046-A1 METHODS OF USING [3.2.0] HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF FOR TREATING INFECTIOUS DISEASES GOT2, CYP11B2, CYP27A1 CES2 45/4885CES1 94/4885P4HTM 1283/4885
US-20080280968-A1 METHODS OF USING [3.2.0] HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF FOR TREATING INFECTIOUS DISEASES GOT2, CYP11B2, CYP27A1 CES2 45/4885CES1 94/4885P4HTM 1283/4885

“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.