SCHEMBL19212698

SCHEMBL19212698

O=CCn1c(=O)cnc2cc(F)c(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.35
FDPS P14324 1/20 0.35
ALDH1A1 P00352 10/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 3/20 0.34
CYP1A2 P05177 6/20 0.33
CYP3A4 P08684 6/20 0.33
TSHR P16473 6/20 0.33
CYP2C19 P33261 4/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP11B2 P19099 2/20 0.32
HSD17B10 Q99714 7/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2C9 P11712 3/20 0.30
CASP1 P29466 3/20 0.30
CASP7 P55210 2/20 0.30
CYP11B1 P15538 1/20 0.30
CYP2D6 P10635 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
SCHEMBL3857826 0.86 CYP3A4 (0.36) GGPS1FDPSALDH1A1KDM4EHPGD
SCHEMBL2799084 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4302268 0.76 PRPS1 (0.33)
SCHEMBL11999990 0.76 KDM4E (0.45) ALDH1A1KDM4EHPGDTSHRLMNA
SCHEMBL2512106 0.76 KCNH2 (0.42) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL2799677 0.76 KDM4E (0.38) ALDH1A1KDM4EHPGDTSHRLMNA
SCHEMBL4297396 0.75 USP2 (0.31) ALDH1A1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL14279801 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDTSHRLMNA
SCHEMBL2798564 0.74 KDM4E (0.60) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL4297370 0.74 CYP1A2 (0.41) ALDH1A1KDM4EHPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055266-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2019-02-21 US disclosed
EP-3413976-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS Redx Pharma PLC (GB) 2018-12-19 EP disclosed
WO-2017137744-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 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 (1 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-20190055266-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS OXA1L, OGFOD1, OCIAD2 GGPS1 2322/4885FDPS 1485/4885ALDH1A1 1397/4885

“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.