SCHEMBL5542226

SCHEMBL5542226

C[CH]c1cccc2c1CCN2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.40
▸ PARP1 P09874 3/20 0.36
▸ PARP10 Q53GL7 3/20 0.36
▸ PARP11 Q9NR21 3/20 0.36
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ CRBN Q96SW2 1/20 0.31

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
SCHEMBL8364082 0.83 NOTUM (0.43) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL17498074 0.81 NOTUM (0.40) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL29627844 0.81 NOTUM (0.40) NOTUMPARP1PARP10PARP11
SCHEMBL5335092 0.81 NOTUM (0.40) NOTUMPARP1PARP10PARP11
SCHEMBL27707619 0.77 GRIA1 (0.37) PARP1PARP10PARP11BCHE
SCHEMBL31161534 0.74 S1PR1 (0.36) NOTUMS1PR1S1PR3
SCHEMBL1031349 0.74 PARP1 (0.56) NOTUMPARP1PARP10PARP11BRD4
Indoline SCHEMBL22344732 0.73 PARP10 (0.34) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL30916119 0.73 NOTUM (0.47) NOTUMPARP1PARP10PARP11BCHE
SCHEMBL20539302 0.73 NOTUM (0.47) NOTUMPARP1PARP10PARP11BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023126978-A1 PROCESS TO PREPARE OCTOPAMINE SULFATE DIRECTOR, NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH, GUWAHATI (NIPER-G) (IN) 2023-07-06 — — WO disclosed
WO-2023112055-A1 NEW SYNTHETIC PROCESS DESIGN FOR THE SYNTHESIS OF CARBOXY TORMIFENE AND PURITY ANALYSIS TO STRENGTHEN ANTIDOPING TESTING DIRECTOR, NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH, GUWAHATI (NIPER-G) (IN) 2023-06-22 — — WO disclosed
WO-2021028935-A1 HETEROCYCLIC COMPOUNDS, AND THEIR USE AS ALLOSTERIC MODULATORS OF 5-HYDROXYTRYPTAMINE 2C RECEPTOR (5-HT2CR) DR REDDY'S INSTITUTE OF LIFE SCIENCES (IN) 2021-02-18 — — WO disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 — — CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 — — CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 — — CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 — — CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 — — CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 NOTUM 3827/4885PARP1 4420/4885PARP10 4531/4885

“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.

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