SCHEMBL2017878

SCHEMBL2017878

Oc1cnn(-c2ccc(Br)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
ALOX15 P16050 1/20 0.36
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC1 Q13547 1/20 0.33
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
CYP2A6 P11509 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
AKR1C3 P42330 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL11550625 0.80 NPC1 (0.42) P2RX7NPC1RAB9AMEN1LMNA
SCHEMBL11605633 0.79 P2RX7 (0.58) P2RX7NPC1RAB9AMEN1LMNA
SCHEMBL12099730 0.76 TSHR (0.39) P2RX7NPC1RAB9AMEN1LMNA
SCHEMBL23367562 0.76 P2RX7 (0.35) P2RX7NPC1RAB9AMEN1LMNA
SCHEMBL23354766 0.74 ALDH1A1 (0.46) P2RX7NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL2017241 0.72 NPBWR1 (0.37) P2RX7ALOX15NPC1RAB9AMEN1
SCHEMBL2014881 0.70 MEN1 (0.36) P2RX7NPC1RAB9AMEN1LMNA
SCHEMBL12100217 0.69 CYP2A6 (0.42) ALOX15NPC1RAB9AMEN1LMNA
SCHEMBL15652569 0.67 MAPT (0.43) P2RX7ALOX15NPC1RAB9AMEN1
SCHEMBL28823612 0.67 KDM4E (0.49) P2RX7NPC1RAB9AMEN1NFKB1

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 25 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
CN-103443079-B Fluoropyridone derivatives useful as antibacterial agents PFIZER 2015-06-03 CN disclosed
US-9018384-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2015-04-28 US disclosed
CN-104529883-A Fluoro-pyridinone derivatives useful as antibacterial agents PFIZER 2015-04-22 CN 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
CN-103443079-A Fluoropyridone derivatives useful as antibacterial agents PFIZER 2013-12-11 CN 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 (5 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 P2RX7 1933/4885ALOX15 258/4885NPC1 1430/4885
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, LCT, HAX1 P2RX7 2559/4885ALOX15 337/4885NPC1 2819/4885
US-20210017206-A1 PYRIDINONE AND PYRIMIDINONE PHOSPHATES AND BORONATES USEFUL AS ANTIBACTERIAL AGENTS PNPO, PRXL2A, BPGM P2RX7 14/4885ALOX15 574/4885NPC1 3463/4885
US-20120232083-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PRDX1, PRXL2A, PRDX4 P2RX7 168/4885ALOX15 80/4885NPC1 3116/4885
US-20140057919-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PRDX1, PRXL2A, PRDX4 P2RX7 168/4885ALOX15 80/4885NPC1 3116/4885

“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.