SCHEMBL2279112

SCHEMBL2279112

CCC(=C(C)C(=O)O)c1ccc(N)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.54
GABRD O14764 5/20 0.54
GABRA1 P14867 5/20 0.54
GABRB1 P18505 5/20 0.54
GABRG2 P18507 5/20 0.54
GABRB3 P28472 5/20 0.54
GABRA5 P31644 5/20 0.54
GABRA3 P34903 5/20 0.54
GABRA2 P47869 5/20 0.54
GABRB2 P47870 5/20 0.54
GABRA4 P48169 5/20 0.54
GABRE P78334 5/20 0.54
GABRA6 Q16445 5/20 0.54
GABRG1 Q8N1C3 5/20 0.54
GABRG3 Q99928 5/20 0.54
GABRQ Q9UN88 5/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
NNMT P40261 1/20 0.50
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL2279108 1.00 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2281669 0.82 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2281666 0.82 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6357163 0.79 NNMT (0.54) SMN1; SMN2NNMTMKNK1MKNK2MAPT
SCHEMBL6357158 0.79 NNMT (0.54) SMN1; SMN2NNMTMKNK1MKNK2MAPT
SCHEMBL10031594 0.76 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29505906 0.76 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1105486 0.74 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21163624 0.73 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL32677848 0.72 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 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-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 GABRP 977/4885GABRD 2628/4885GABRA1 1612/4885

“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.