SCHEMBL12413878

SCHEMBL12413878

COC(=O)c1nnn(C)c1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
ALOX15 P16050 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP19A1 P11511 3/20 0.46
CYP1A2 P05177 1/20 0.46
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44

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
SCHEMBL12412330 0.84 ALDH1A1 (0.48) SMN1; SMN2MAPTALDH1A1KDM4ECYP2C9
SCHEMBL12377277 0.82 MEN1 (0.49) MEN1KMT2ATP53SMN1; SMN2MAPT
SCHEMBL20027816 0.81 CYP19A1 (0.68) MEN1KMT2ATP53SMN1; SMN2MAPT
SCHEMBL22897152 0.81 ALDH1A1 (0.50) SMN1; SMN2MAPTALDH1A1KDM4ECYP2C9
SCHEMBL14154662 0.78 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL461436 0.77 TP53 (0.44) MEN1KMT2ATP53SMN1; SMN2MAPT
SCHEMBL10959666 0.75 GRM5 (0.57) MEN1KMT2ATP53SMN1; SMN2MAPT
SCHEMBL17921441 0.74 NR4A2 (0.50) MEN1KMT2ATP53SMN1; SMN2MAPT
SCHEMBL25311241 0.72 CYP1A2 (0.54) MEN1KMT2ATP53SMN1; SMN2MAPT
SCHEMBL20659148 0.72 LMNA (0.57) MEN1KMT2ATP53SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 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-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 MEN1 2906/4885KMT2A 4563/4885TP53 4844/4885

“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.