SCHEMBL4243422

SCHEMBL4243422

COc1ccc2c(-n3cc(C(=O)O)c4ccccc43)ccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
KDM4C Q9H3R0 2/20 0.44
KCNH2 Q12809 1/20 0.43
GRM4 Q14833 1/20 0.43
PTGS1 P23219 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
MET P08581 2/20 0.42
NR4A2 P43354 1/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL4242991 0.91 LMNA (0.53) LMNAKDM4EALDH1A1HPGDKDM4C
SCHEMBL4240288 0.91 LMNA (0.59) LMNAKDM4EALDH1A1HPGDKDM4C
SCHEMBL4241514 0.90 NR4A2 (0.52) LMNAKDM4EALDH1A1PTGS1CYP2C19
Hydrochloric Acid SCHEMBL4236129 0.89 PTGDR2 (0.42) LMNAKDM4EKCNH2GRM4PTGS1
SCHEMBL4245893 0.84 MET (0.41) LMNAKDM4EKCNH2GRM4PTGS1
SCHEMBL4244849 0.84 RORC (0.43) KDM4EALDH1A1HPGDKDM4CCYP2C19
Hydrochloric Acid SCHEMBL4243243 0.83 MET (0.40) LMNAKDM4EKCNH2GRM4PTGS1
SCHEMBL4239569 0.82 NR4A2 (0.52) LMNAKDM4EALDH1A1NR4A2MAPT
SCHEMBL4239873 0.82 KMT2A (0.47) LMNAKDM4EALDH1A1PTGS1CYP2C19
SCHEMBL4235835 0.82 LMNA (0.44) LMNAKDM4EALDH1A1KDM4CPTGS1

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-7638521-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-12-29 US disclosed
US-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-28 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-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C LMNA 647/4885KDM4E 1286/4885ALDH1A1 963/4885

“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.