SCHEMBL2281664

SCHEMBL2281664

COC(=O)/C(C)=C/c1ccc(N)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2279107 0.85 MAPT (0.47) SMN1; SMN2LMNAMAPTGABRPGABRD
SCHEMBL2272168 0.82 AKR1C3 (0.52) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL2272174 0.82 AKR1C3 (0.52) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL13052583 0.81 MEN1 (0.46) SMN1; SMN2LMNAMAPTNNMTMKNK1
Hydrochloric Acid SCHEMBL2274905 0.81 AKR1C3 (0.50) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL1259194 0.78 CYP19A1 (0.42) SMN1; SMN2LMNAMAPTHDAC1HDAC6
SCHEMBL1259189 0.78 CYP19A1 (0.42) SMN1; SMN2LMNAMAPTHDAC1HDAC6
SCHEMBL30996071 0.76 NOS2 (0.45) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL13052584 0.76 TUBB4A (0.39) SMN1; SMN2LMNAMAPTMAP3K7TAB1
SCHEMBL3629872 0.73 CA12 (0.56) SMN1; SMN2MAPTMET

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 SMN1; SMN2 4421/4885LMNA 3308/4885MAPT 3629/4885

“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.