SCHEMBL351535

SCHEMBL351535

CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c2c1NCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 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
SCHEMBL350255 0.78 NPSR1 (0.42) NPSR1GAALMNAMAPTGABRP
SCHEMBL12306126 0.73 NPSR1 (0.47) NPSR1GAALMNAMAPTGABRP
SCHEMBL338481 0.73 NPSR1 (0.47) NPSR1LMNAMAPT
SCHEMBL347028 0.72 NPSR1 (0.46) NPSR1LMNAMAPT
SCHEMBL352477 0.72 PDE3B (0.40) NPSR1LMNAMAPTPDE3BPDE3A
SCHEMBL342355 0.72 PARP1 (0.36) PARP1NPSR1MAPT
SCHEMBL1593857 0.70 NPSR1 (0.48) NPSR1LMNAMAPT
SCHEMBL344052 0.69 DHFR (0.36) PARP1NPSR1MAPT
SCHEMBL352370 0.69 NPSR1 (0.36) NPSR1LMNA
SCHEMBL344043 0.69 NPSR1 (0.49) NPSR1GAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
US-7998950-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2011-08-16 US disclosed
WO-2010011959-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 WO disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20100022508-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-01-28 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 (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-20100022508-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PARP1 671/4885NPSR1 4462/4885GAA 151/4885

“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.