SCHEMBL21155602

SCHEMBL21155602

CN(CCO[Si](C)(C)C(C)(C)C)C(=O)OCCl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL21155621 0.91 DUT (0.32) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL1968456 0.81 PDK2 (0.36)
SCHEMBL24477527 0.79 DUT (0.31) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL23067161 0.78 DUT (0.31)
SCHEMBL10223187 0.77 DUT (0.31)
SCHEMBL19832452 0.76 CHRM2 (0.40) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL2875764 0.75 ALDH1A1 (0.36) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL31294926 0.73 DUT (0.33) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL18982352 0.73 CHRNB2 (0.44) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL17567264 0.73 DUT (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152048-B2 Nitroxoline prodrug and use thereof JIANGSU YAHONG MEDITECH CO., LTD. (CN) 2024-11-26 US disclosed
US-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-20 US disclosed
US-20210363165-A1 NITROXOLINE PRODRUG AND USE THEREOF JIANGSU YAHONG MEDITECH CO., LTD. (CN) 2021-11-25 US disclosed
US-20210363165-A1 NITROXOLINE PRODRUG AND USE THEREOF JIANGSU YAHONG MEDITECH CO., LTD. (CN) 2021-11-25 US disclosed
EP-3858814-A1 NITROXOLINE PRODRUG AND USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2021-08-04 EP disclosed
EP-3858814-A1 NITROXOLINE PRODRUG AND USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2021-08-04 EP disclosed
US-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-03-11 US disclosed
CN-111295372-B Nitroxoline prodrugs and uses thereof 江苏亚虹医药科技股份有限公司 2021-03-09 CN disclosed
CN-111295372-A Nitroxoline prodrugs and uses thereof 江苏亚虹医药科技有限公司 2020-06-16 CN disclosed
WO-2020063824-A1 NITROXOLINE PRODRUG AND USE THEREOF 江苏亚虹医药科技有限公司 2020-04-02 WO disclosed
WO-2019136112-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-11 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 (4 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-12152048-B2 Nitroxoline prodrug and use thereof NOS1, NOS2, NNT CHRNB2 4517/4885CHRNA4 4401/4885CHRM2 3548/4885
US-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT CHRNB2 2768/4885CHRNA4 3896/4885CHRM2 1793/4885
US-11447449-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT CHRNB2 2768/4885CHRNA4 3896/4885CHRM2 1793/4885
US-20210363165-A1 NITROXOLINE PRODRUG AND USE THEREOF NOS1, NOS2, NNT CHRNB2 4517/4885CHRNA4 4401/4885CHRM2 3548/4885

“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.