SCHEMBL2017241

SCHEMBL2017241

COc1cnn(-c2ccc(Br)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.37
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MCL1 Q07820 2/20 0.33
LMNA P02545 2/20 0.33
ADAM17 P78536 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32

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
SCHEMBL11548596 0.84 ALDH1A1 (0.41) NPBWR1HTTTSHRRAB9ANPC1
SCHEMBL16797793 0.81 P2RX7 (0.49) HTTTSHRRAB9ANPC1MEN1
SCHEMBL11550040 0.81 HTT (0.33) HTTRAB9ANPC1MEN1KMT2A
SCHEMBL22899915 0.79 NPBWR1 (0.39) NPBWR1HTTTSHRRAB9AALDH1A1
SCHEMBL2014881 0.79 MEN1 (0.36) HTTTSHRRAB9ANPC1MEN1
SCHEMBL11546993 0.78 ALDH1A1 (0.43) HTTTSHRMEN1KMT2AALDH1A1
SCHEMBL11550043 0.76 MEN1 (0.35) TSHRMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12099730 0.76 TSHR (0.39) TSHRRAB9ANPC1MEN1KMT2A
SCHEMBL2019320 0.73 LPL (0.41)
SCHEMBL2017878 0.72 P2RX7 (0.38) TSHRRAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017206-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. 2021-01-21 US disclosed
EP-3765027-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2021-01-20 EP disclosed
CN-111867600-A Pyridone and pyrimidone phosphates and borates as antibacterial agents 辉瑞大药厂 2020-10-30 CN disclosed
WO-2019178305-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2019-09-19 WO disclosed
EP-2683689-B1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2017-04-12 EP disclosed
US-9180123-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2015-11-10 US disclosed
US-20150182513-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2015-07-02 US disclosed
US-9018384-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2015-04-28 US disclosed
US-20140343031-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-11-20 US disclosed
EP-2512474-B1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2014-11-05 EP disclosed
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER (US) 2014-05-08 US disclosed
US-8664401-B2 N-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-03-04 US disclosed
US-20140057919-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2014-02-27 US disclosed
EP-2683689-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-01-15 EP disclosed
US-8624034-B2 Fluoro-pyridinone derivatives useful as antibacterial agents PFIZER INC. (US) 2014-01-07 US disclosed
EP-2512474-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-10-24 EP disclosed
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. 2012-10-11 US disclosed
US-20120232083-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC 2012-09-13 US disclosed
WO-2012120397-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-09-13 WO disclosed
WO-2011073845-A1 N-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-06-23 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 (7 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-20150182513-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT NPBWR1 938/4885HTT 2305/4885TSHR 4453/4885
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, LCT, HAX1 NPBWR1 597/4885HTT 2201/4885TSHR 2203/4885
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT NPBWR1 938/4885HTT 2305/4885TSHR 4453/4885
US-20210017206-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS PNPO, PRXL2A, BPGM NPBWR1 553/4885HTT 4783/4885TSHR 3413/4885
US-20140343031-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT NPBWR1 938/4885HTT 2305/4885TSHR 4453/4885
US-20120232083-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PRDX1, PRXL2A, PRDX4 NPBWR1 2411/4885HTT 4395/4885TSHR 3799/4885
US-20140057919-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PRDX1, PRXL2A, PRDX4 NPBWR1 2411/4885HTT 4395/4885TSHR 3799/4885

“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.