SCHEMBL2018301

SCHEMBL2018301

OC1CCC(Oc2ccc(Br)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.47
PARP10 Q53GL7 1/20 0.41
CHEK2 O96017 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CCR5 P51681 1/20 0.38
MAPT P10636 1/20 0.38
HRH1 P35367 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAP4K4 O95819 1/20 0.36
FURIN P09958 2/20 0.35
PTPN1 P18031 1/20 0.34

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
SCHEMBL835805 0.89 EPHX2 (0.49) EPHX2PARP10HRH3CCR5MAPT
SCHEMBL13724423 0.82 PARP10 (0.46) EPHX2PARP10CHEK2HRH3HRH1
SCHEMBL9966865 0.81 PARP10 (0.53) EPHX2PARP10HRH3CCR5MAPT
SCHEMBL2414756 0.81 PARP10 (0.48) EPHX2PARP10HRH3MAPTHRH1
SCHEMBL8574918 0.80 HRH3 (0.42) EPHX2PARP10CHEK2HRH3HRH1
SCHEMBL9774780 0.80 EPHX2 (0.54) EPHX2
SCHEMBL12544887 0.79 HRH1 (0.59) EPHX2PARP10HRH1
SCHEMBL623713 0.79 PARP10 (0.47) EPHX2PARP10HRH3MAPTALDH1A1
SCHEMBL22816267 0.78 ESR2 (0.57) PARP10CHEK2HRH3HRH1ALDH1A1
SCHEMBL891002 0.78 SMN1; SMN2 (0.51) EPHX2PARP10CHEK2HRH3HRH1

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-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-8846933-B2 N-link hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-09-30 US 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
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
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 (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-20150182513-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT EPHX2 213/4885PARP10 1960/4885CHEK2 3042/4885
US-20120258948-A1 N-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, LCT, HAX1 EPHX2 596/4885PARP10 1831/4885CHEK2 3798/4885
US-20140128363-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT EPHX2 213/4885PARP10 1960/4885CHEK2 3042/4885
US-20140343031-A1 N-Link Hydroxamic Acid Derivatives Useful As Antibacterial Agents LPXN, NAAA, AGXT EPHX2 213/4885PARP10 1960/4885CHEK2 3042/4885

“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.