SCHEMBL4093915

SCHEMBL4093915

Cc1c(C(C)N)sc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
ALOX5 P09917 2/20 0.42
ROCK1 Q13464 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35

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
SCHEMBL12425595 0.86 GPR3 (0.46) GPR3ALOX5ROCK1ALDH1A1PRNP
SCHEMBL4099681 0.79 GPR3 (0.40) GPR3ALOX5ROCK1ALDH1A1PRNP
SCHEMBL22320228 0.79 GPR3 (0.40) GPR3ALOX5ROCK1ALDH1A1PRNP
SCHEMBL4099685 0.79 GPR3 (0.40) GPR3ALOX5ROCK1ALDH1A1PRNP
Hydrochloric Acid SCHEMBL5751827 0.79 ALDH1A1 (0.38) GPR3ALOX5ROCK1ALDH1A1PRNP
SCHEMBL12196604 0.78 L3MBTL1 (0.43) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL2503814 0.78 L3MBTL1 (0.43) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL5689250 0.74 ALOX5 (0.73) ALOX5GAA
SCHEMBL3280749 0.74 HPGD (0.42) GPR3ALOX5ALDH1A1PRNPRXFP1
SCHEMBL20893368 0.74 ALOX5 (0.36) GPR3ALOX5ROCK1ALDH1A1PRNP

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 5 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
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed
US-5348976-A Amide derivatives as fungicides safe for plants KUMAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-09-20 US disclosed
EP-0587110-A2 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-16 EP disclosed
EP-0530149-A1 Parasiticide CIBA-GEIGY AG (CH) 1993-03-03 EP 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 4277/4885ALOX5 2681/4885ROCK1 3576/4885

“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.