SCHEMBL20995995

SCHEMBL20995995

COc1ccc2ncc(=O)n(C3CCC(NCc4cc5c(=O)oc6ccc(F)cc6c5[nH]4)CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.43
KCNH2 Q12809 7/20 0.40
CYP1A2 P05177 4/20 0.36
CYP2C9 P11712 3/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL19706842 1.00 SLC2A1 (0.43) SLC2A1KCNH2CYP1A2CYP2C9USP2
SCHEMBL20996021 0.86 KCNH2 (0.39) SLC2A1KCNH2CYP1A2CYP2C9USP2
SCHEMBL20996020 0.86 KCNH2 (0.39) SLC2A1KCNH2CYP1A2CYP2C9USP2
SCHEMBL19707004 0.86 KCNH2 (0.39) KCNH2CYP1A2CYP2C9USP2CYP3A4
SCHEMBL20995992 0.86 SLC2A1 (0.35) SLC2A1KCNH2
SCHEMBL19706892 0.86 SLC2A1 (0.35) SLC2A1KCNH2
SCHEMBL19707063 0.84 KCNH2 (0.39) SLC2A1KCNH2
SCHEMBL19707061 0.84 KCNH2 (0.39) SLC2A1KCNH2
SCHEMBL20995997 0.84 KCNH2 (0.39) SLC2A1KCNH2
SCHEMBL19706897 0.83 SLC2A1 (0.34) SLC2A1KCNH2CYP1A2CYP2C9USP2

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-10640488-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-05-05 US disclosed
US-10633366-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-04-28 US disclosed
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-03-26 US disclosed
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-08-22 US disclosed
US-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-05-30 US 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-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, LAS1L, MRPL19 SLC2A1 4456/4885KCNH2 2657/4885CYP1A2 1035/4885
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC SLC2A1 4408/4885KCNH2 3913/4885CYP1A2 4147/4885
US-10633366-B2 Antibacterial compounds MRPL21, LAS1L, MRPL19 SLC2A1 4448/4885KCNH2 2772/4885CYP1A2 584/4885
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC SLC2A1 4408/4885KCNH2 3913/4885CYP1A2 4147/4885
US-10640488-B2 Antibacterial compounds MRPL21, CLPP, NRDC SLC2A1 4378/4885KCNH2 3933/4885CYP1A2 3385/4885

“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.