SCHEMBL142197

SCHEMBL142197

O=C(O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA7 P43166 1/20 0.68
CA9 Q16790 1/20 0.68
CA14 Q9ULX7 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.63
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 2/20 0.62
POLB P06746 1/20 0.62
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
HTT P42858 1/20 0.59
HPGD P15428 2/20 0.57
HSD11B1 P28845 1/20 0.57
MGLL Q99685 1/20 0.57
LMNA P02545 1/20 0.56
KDM4E B2RXH2 2/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL9152022 0.93 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL27971693 0.88 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL4724436 0.86 KMT2A (0.75) CA12CA1CA2CA7CA9
SCHEMBL1877246 0.86 KMT2A (0.80) CA12CA1CA2CA7CA9
SCHEMBL110101 0.85 ALDH1A1 (0.72) CA12CA1CA2CA7CA9
SCHEMBL4002999 0.85 ALDH1A1 (0.75) CA12CA1CA2CA7CA9
SCHEMBL19313021 0.85 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL1590712 0.85 KMT2A (0.83) CA12CA1CA2CA7CA9
SCHEMBL16026508 0.84 ALDH1A1 (0.70) CA12CA1CA2CA7CA9
SCHEMBL28866336 0.83 CA12 (0.64) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022227743-A1 MEMANTINE UREA DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 沈阳药科大学 2022-11-03 WO disclosed
US-20210100908-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-08 US disclosed
WO-2020252397-A1 SMALL MOLECULE PROTEOLYSIS-TARGETING CHIMERAS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2020-12-17 WO disclosed
EP-3746426-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE Dana Farber Cancer Institute, Inc. (US) 2020-12-09 EP disclosed
WO-2019148150-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-01 WO disclosed
CN-101796038-B Oxazole tyrosine kinase inhibitors SAREUM LTD. (GB) 2014-10-29 CN disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
CN-101796038-A Oxazole tyrosine kinase inhibitors SAREUM LTD 2010-08-04 CN disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed
WO-2010055304-A2 PHARMACEUTICAL COMPOUNDS SAREUM LIMITED (GB) 2010-05-20 WO disclosed
EP-2170849-A1 OXAZOLE TYROSINE KINASE INHIBITORS Sareum Limited (GB) 2010-04-07 EP disclosed
WO-2008139161-A1 OXAZOLE TYROSINE KINASE INHIBITORS SAREUM LIMITED (GB) 2008-11-20 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 (2 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 CA12 3204/4885CA1 2930/4885CA2 1140/4885
US-20210100908-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, SYK CA12 4288/4885CA1 3851/4885CA2 3021/4885

“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.