SCHEMBL13799994

SCHEMBL13799994

Cc1c([C@@H](C)N[S@+]([O-])C(C)(C)C)oc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA12 O43570 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 3/20 0.32
TSHR P16473 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
LMNA P02545 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 2/20 0.31

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
SCHEMBL30136707 0.83 NPC1 (0.32) NPC1RAB9ACA12CA2CA9
SCHEMBL13800027 0.83 ABCB1 (0.46) SMN1; SMN2CA2L3MBTL1KDM4EHTT
SCHEMBL24757836 0.83 NPC1 (0.32) NPC1RAB9ACA12CA2CA9
SCHEMBL20559679 0.82 RAB9A (0.35) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL20559680 0.82 RAB9A (0.35) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL20559681 0.82 RAB9A (0.35) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL31558591 0.76 MEN1 (0.41) SMN1; SMN2NPC1RAB9AKDM4EHTT
SCHEMBL30765876 0.76 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL31558514 0.76 MEN1 (0.41) SMN1; SMN2NPC1RAB9AKDM4EHTT
SCHEMBL2845027 0.76 KDM4E (0.39) SMN1; SMN2NPC1RAB9ACA12CA2

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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI SMN1; SMN2 4069/4885NPC1 1802/4885RAB9A 3088/4885

“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.