SCHEMBL4094454

SCHEMBL4094454

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
LMNA P02545 1/20 0.30
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4094450 1.00 HCRTR1 (0.32) HCRTR1KDM4ECHRM2CHRM4CHRM5
SCHEMBL4103999 0.83 ABCB1 (0.43) SMN1; SMN2KMT2A
SCHEMBL4103998 0.83 ABCB1 (0.43) SMN1; SMN2KMT2A
SCHEMBL13813418 0.76 HCRTR1 (0.34) HCRTR1KDM4ECHRM2CHRM4CHRM5
SCHEMBL13799994 0.74 SMN1; SMN2 (0.33) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL13552262 0.73 HCRTR1 (0.39) HCRTR1KDM4ECHRM2CHRM4CHRM5
SCHEMBL10129515 0.70 KDM4E (0.43) KDM4ECHRM2CHRM4CHRM5CHRM1
SCHEMBL4099239 0.70 ALOX5 (0.35)
SCHEMBL24757836 0.68 NPC1 (0.32) KDM4ERAB9ANPC1
SCHEMBL30136707 0.68 NPC1 (0.32) KDM4ERAB9ANPC1

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 3 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
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 HCRTR1 4229/4885KDM4E 3209/4885CHRM2 3971/4885

“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.