SCHEMBL5879

SCHEMBL5879

Fc1cc(Br)ccc1CCI

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
PYCR1 P32322 1/20 0.44
KDM1A O60341 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
AKR1B1 P15121 1/20 0.38
DGAT1 O75907 1/20 0.37
NAAA Q02083 1/20 0.37
CHRM5 P08912 1/20 0.36
KDM1B Q8NB78 1/20 0.35
HSP90B1 P14625 1/20 0.35
TRAP1 Q12931 1/20 0.35
MTNR1B P49286 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
SCHEMBL26389815 0.83 DPP4 (0.38) PDPK1PYCR1KDM1ADGAT1KDM1B
SCHEMBL6669679 0.83 PYCR1 (0.46) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL1819663 0.81 TAAR1 (0.50) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL2298211 0.81 PDPK1 (0.45) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL27753798 0.79 PDPK1 (0.44) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL5826 0.79 PDPK1 (0.48) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL1311178 0.79 PDPK1 (0.44) PDPK1PYCR1KDM1ANPC1RAB9A
Hydrochloric Acid SCHEMBL12476650 0.79 TAAR1 (0.48) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL5404668 0.79 PYCR1 (0.47) PDPK1PYCR1KDM1ANPC1RAB9A
SCHEMBL7337981 0.78 IDO1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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 (2 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT PDPK1 4265/4885PYCR1 1015/4885KDM1A 144/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A PDPK1 3626/4885PYCR1 1078/4885KDM1A 315/4885

“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.