SCHEMBL4242771

SCHEMBL4242771

N=C(NOC(=O)C(F)(F)F)NC(=O)c1cn(-c2cnnc3ccccc23)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.34
IDO1 P14902 2/20 0.33
NR4A2 P43354 2/20 0.32
HTR3A P46098 10/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.30
SCN9A Q15858 1/20 0.30
AKT1 P31749 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
Trifluoroacetic Acid SCHEMBL4242769 0.85 MALT1 (0.34) MALT1IDO1NR4A2HTR3AKDM4E
SCHEMBL4243183 0.84 PIK3R2 (0.37) NR4A2KDM4EHTTLMNA
SCHEMBL4244748 0.83 HTR3A (0.35) NR4A2HTR3AAKT1
SCHEMBL4241091 0.79 NTSR1 (0.42) KDM4E
SCHEMBL4240982 0.78 ROCK1 (0.34) MALT1IDO1HTR3ASCN9A
SCHEMBL4247339 0.78 MALT1 (0.35) MALT1HTR3AKDM4ELMNAAKT1
SCHEMBL4239878 0.74 NR4A2 (0.59) NR4A2KDM4ELMNA
SCHEMBL4243249 0.73 HSP90AA1 (0.37) KDM4EHTT
SCHEMBL6195224 0.73 KDM4E (0.40) KDM4EHTTLMNA
SCHEMBL4060477 0.71 ELANE (0.41) MALT1HTR3A

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-7531663-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
EP-1523481-A1 3-GUANIDINOCARBONYL-1-HETEROARYL-INDOLE DERIVATIVES, PREPARATION PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2005-04-20 EP disclosed
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed
WO-2004007480-A1 3-GUANIDINOCARBONYL-1-HETEROARYL-INDOLE DERIVATIVES, PREPARATION PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 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-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C MALT1 2550/4885IDO1 1/4885NR4A2 2855/4885

“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.