SCHEMBL21176326

SCHEMBL21176326

CC(C(=O)C(=O)NCc1cccc(Cl)c1)N(C)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.45
NPC1 O15118 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL19974709 0.81 OPRM1 (0.46) MASP2NPC1GABRPGABRDGABRA1
SCHEMBL19974738 0.81 MASP2 (0.49) MASP2NPC1GAAMEN1HCRTR1
SCHEMBL19975402 0.80 MASP2 (0.45) MASP2GABRPGABRDGABRA1GABRB1
SCHEMBL19975316 0.79 MASP2 (0.44) MASP2GABRPGABRDGABRA1GABRB1
SCHEMBL19975432 0.77 GABRP (0.43) MASP2NPC1GABRPGABRDGABRA1
SCHEMBL19974818 0.75 CTSD (0.43) MASP2GABRPGABRDGABRA1GABRB1
SCHEMBL19975522 0.74 GABRP (0.41) MASP2NPC1GABRPGABRDGABRA1
SCHEMBL19975404 0.74 CTSD (0.43) MASP2GABRPGABRDGABRA1GABRB1
SCHEMBL19975352 0.73 PDE10A (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3461102 0.73 NPC1 (0.70) NPC1MEN1HCRTR1KMT2AAPEX1

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-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C MASP2 1122/4885NPC1 753/4885GABRP 3822/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C MASP2 862/4885NPC1 1213/4885GABRP 3733/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C MASP2 1122/4885NPC1 753/4885GABRP 3822/4885

“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.