SCHEMBL12377326

SCHEMBL12377326

CC(C)n1cc(-c2ccc(Cl)cc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
PTGS1 P23219 1/20 0.46
FLT3 P36888 1/20 0.45
GSK3B P49841 1/20 0.45
CYP19A1 P11511 1/20 0.45
NR1I3 Q14994 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
LRRK2 Q5S007 3/20 0.38

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
SCHEMBL25825570 0.86 CYP19A1 (0.49) CYP19A1NR1I3NPC1RAB9AKDM4E
SCHEMBL25898935 0.84 CYP19A1 (0.47) CYP19A1NPC1RAB9AKDM4EHPGD
SCHEMBL11965518 0.84 FLT3 (0.46) PTGS2PTGS1FLT3CYP19A1NPC1
SCHEMBL9729950 0.82 PTGS2 (0.46) PTGS2PTGS1FLT3CYP19A1NPC1
SCHEMBL12377290 0.82 CYP19A1 (0.62) PTGS2PTGS1CYP19A1NPC1RAB9A
SCHEMBL9963176 0.81 CYP19A1 (0.66) PTGS2PTGS1CYP19A1NPC1RAB9A
SCHEMBL21286181 0.80 KDR (0.45) FLT3GSK3BCYP19A1MAOBNPC1
SCHEMBL16406113 0.79 CYP19A1 (0.42) CYP19A1CA2CA9LRRK2
SCHEMBL21286180 0.79 CYP19A1 (0.42) CYP19A1MAPTRAB9AKDM4EALDH1A1
SCHEMBL19449444 0.79 MEN1 (0.51) PTGS2PTGS1NPC1RAB9ACA2

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 4 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-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
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 PTGS2 1007/4885PTGS1 280/4885FLT3 3216/4885

“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.