SCHEMBL2382987

SCHEMBL2382987

O=C(NC1CC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 1/20 0.53
MGLL Q99685 2/20 0.52
EPHX1 P07099 2/20 0.50
GAA P10253 2/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
ROCK2 O75116 1/20 0.48
BCL9 O00512 1/20 0.48
CTNNB1 P35222 1/20 0.48

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
SCHEMBL31417142 0.94 MAPT (0.53) EPHX2ALDH1A1RAB9AMGLLEPHX1
SCHEMBL2383573 0.94 ALDH1A1 (0.61) ALDH1A1RAB9AEPHX1GAA
SCHEMBL4070011 0.93 ALDH1A1 (0.64) ALDH1A1RAB9AEPHX1
SCHEMBL4182633 0.93 ALDH1A1 (0.64) ALDH1A1RAB9AEPHX1
SCHEMBL4175464 0.93 ALDH1A1 (0.64) ALDH1A1RAB9AEPHX1
SCHEMBL12436790 0.91 MGLL (0.48) EPHX2ALDH1A1RAB9AMGLLEPHX1
SCHEMBL25994 0.90 MGLL (0.47) EPHX2ALDH1A1RAB9AMGLLEPHX1
SCHEMBL29157993 0.89 DRD2 (0.52) EPHX2ALDH1A1RAB9AMGLLEPHX1
SCHEMBL11423759 0.88 EPHX2 (0.55) EPHX2ALDH1A1RAB9AMGLLEPHX1
SCHEMBL21227846 0.88 HTR1A (0.48) EPHX2ALDH1A1RAB9AMGLLGAA

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12516056-B2 Compounds for inhibition of janus kinase 1 MANKIND PHARMA LTD. (IN) 2026-01-06 US disclosed
EP-4463450-A1 FUSED HETEROARYL HYDROXAMATES AS STING AGONISTS Bisichem Co., Ltd. (KR) 2024-11-20 EP disclosed
CN-114174294-B Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2024-10-25 CN disclosed
CN-118510770-A Fused heteroaryl hydroxamic acids as STING agonists 比西切姆有限公司 2024-08-16 CN disclosed
WO-2023136589-A1 FUSED HETEROARYL HYDROXAMATES AS STING AGONISTS BISICHEM CO., LTD. (KR) 2023-07-20 WO disclosed
US-20230219931-A1 FUSED HETEROARYL HYDROXAMATES AS STING AGONISTS BISICHEM CO., LTD. (KR) 2023-07-13 US disclosed
US-20230219931-A1 FUSED HETEROARYL HYDROXAMATES AS STING AGONISTS BISICHEM CO., LTD. (KR) 2023-07-13 US disclosed
US-20230219931-A1 FUSED HETEROARYL HYDROXAMATES AS STING AGONISTS BISICHEM CO., LTD. (KR) 2023-07-13 US disclosed
US-20220235046-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2022-07-28 US disclosed
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 EP disclosed
EP-1966207-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2008-09-10 EP disclosed
WO-2007072158-A2 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
EP-1767533-A1 N-{(2-(2,6-dioxo(3-piperidyl)-1,3-dioxo-2,3-dihydro-1H-isoindolin-4-yl)methyl}cyclopropylcarboxamide as TNF inhibitor CELGENE CORPORATION (US) 2007-03-28 EP disclosed
EP-1363900-B1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF CELGENE CORP (US) 2007-01-24 EP disclosed
US-7091353-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2006-08-15 US disclosed
US-20060025597-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2006-02-02 US disclosed
EP-1363900-A1 ISOINDOLE-IMIDE COMPOUNDS AS TNF-INHIBITORS CELGENE CORPORATION (US) 2003-11-26 EP disclosed
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2003-05-22 US disclosed
US-20030045552-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2003-03-06 US disclosed
WO-2002059106-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF CELGENE CORPORATION (US) 2002-08-01 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 (5 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-20030045552-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, IKZF1 EPHX2 2239/4885ALDH1A1 2514/4885RAB9A 1120/4885
US-20060025597-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, TNFRSF1A EPHX2 2062/4885ALDH1A1 2190/4885RAB9A 996/4885
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, IKZF1 EPHX2 2239/4885ALDH1A1 2514/4885RAB9A 1120/4885
US-20230219931-A1 FUSED HETEROARYL HYDROXAMATES AS STING AGONISTS STING1, IRF3, IFNAR1 EPHX2 2221/4885ALDH1A1 4617/4885RAB9A 2704/4885
US-20220235046-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 JAK1, JAK2, JAK3 EPHX2 4009/4885ALDH1A1 2992/4885RAB9A 2722/4885

“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.