SCHEMBL10195693

SCHEMBL10195693

NC(=O)c1ccc(B(O)O)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 4/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HPGDS O60760 1/20 0.45
▸ GRM5 P41594 1/20 0.44
▸ F7 P08709 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ SARM1 Q6SZW1 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ SIRT4 Q9Y6E7 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ PSMD14 O00487 1/20 0.39
▸ STAMBP O95630 1/20 0.39

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
SCHEMBL25919468 0.77 GAA (0.38) NNMTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL19581478 0.74 NNMT (0.65) NNMTSMN1; SMN2KDM4EL3MBTL1HPGDS
SCHEMBL978974 0.72 NNMT (0.63) NNMTSMN1; SMN2KDM4EL3MBTL1HPGDS
SCHEMBL31196295 0.72 NNMT (0.63) NNMTSMN1; SMN2KDM4EL3MBTL1HPGDS
6-Aminonicotinamide SCHEMBL105510 0.72 NNMT (1.00) NNMTSMN1; SMN2KDM4EL3MBTL1HPGDS
SCHEMBL447959 0.72 NNMT (0.63) NNMTSMN1; SMN2KDM4EL3MBTL1HPGDS
SCHEMBL2236672 0.71 NNMT (0.61) NNMTSMN1; SMN2KDM4EL3MBTL1HPGDS
SCHEMBL388168 0.71 NAPRT (0.67) NNMTSMN1; SMN2KDM4EL3MBTL1SIRT6
SCHEMBL22229965 0.71 NNMT (0.61) NNMTSMN1; SMN2KDM4EL3MBTL1HPGDS
SCHEMBL18547371 0.71 NNMT (0.61) NNMTSMN1; SMN2KDM4EL3MBTL1HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225024-A1 MUCOADHESIVE POLYMERS HAVING VITAMIN B PARTIAL STRUCTURES YKK CORPORATION (JP) 2012-09-06 — — US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 — — EP disclosed
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2014-02-20 — — US disclosed
EP-2681206-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2014-01-08 — — EP disclosed
CN-103429582-A MST1 kinase inhibitors and method of use thereof LEXICON PHARMACEUTICALS INC 2013-12-04 — — CN disclosed
US-8440652-B2 MST1 kinase inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-14 — — US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-8372852-B2 Purines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2013-02-12 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS Andrea Boesciences, Inc. (US) 2012-11-01 — — US disclosed
WO-2012121992-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-09-13 — — WO disclosed
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-09-06 — — US disclosed
EP-2220091-B1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2012-07-25 — — EP disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
US-8207178-B2 Fused pyrimidines as reverse transcriptase inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-06-26 — — US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 — — US disclosed
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES (US) 2009-06-25 — — US 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-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 NNMT 526/4885SMN1; SMN2 1599/4885KDM4E 3327/4885
US-20120277206-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP NNMT 82/4885SMN1; SMN2 2179/4885KDM4E 1021/4885
US-20090162319-A1 REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR1E, TYMP NNMT 82/4885SMN1; SMN2 2179/4885KDM4E 1021/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 NNMT 526/4885SMN1; SMN2 1599/4885KDM4E 3327/4885

“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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