SCHEMBL4099681

SCHEMBL4099681

CN[C@H](C)c1sc2ccccc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
ALDH1A1 P00352 1/20 0.37
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALOX5 P09917 2/20 0.36
LIMK1 P53667 1/20 0.35
ROCK1 Q13464 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
EGFR P00533 2/20 0.35
HSD11B1 P28845 1/20 0.33
GCGR P47871 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33

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
SCHEMBL4099685 1.00 GPR3 (0.40) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL12425595 0.81 GPR3 (0.46) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL4093915 0.79 GPR3 (0.44) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL13813423 0.78 GPR3 (0.33) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL13799997 0.76 GPR3 (0.32) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL22320228 0.75 GPR3 (0.40) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL3280749 0.70 HPGD (0.42) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL20893368 0.70 ALOX5 (0.36) GPR3ALDH1A1PRNPRXFP1ALOX5
SCHEMBL23009381 0.69 GPR3 (0.46) GPR3ALDH1A1PRNPRXFP1LIMK1
SCHEMBL23057052 0.69 GPR3 (0.42) GPR3ALDH1A1LIMK1EGFRCYP2D6

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-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
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO 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 GPR3 4277/4885ALDH1A1 2669/4885PRNP 3301/4885

“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.