SCHEMBL4244748

SCHEMBL4244748

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 15/20 0.35
NR4A2 P43354 1/20 0.35
F10 P00742 1/20 0.34
AKT1 P31749 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
Trifluoroacetic Acid SCHEMBL4242769 0.93 MALT1 (0.34) HTR3ANR4A2AKT1HDAC1HDAC2
SCHEMBL4060477 0.87 ELANE (0.41) HTR3A
SCHEMBL4243249 0.86 HSP90AA1 (0.37)
SCHEMBL4242771 0.83 MALT1 (0.34) HTR3ANR4A2AKT1
SCHEMBL4247704 0.83 HTR3A (0.38) HTR3ANR4A2F10
Hydrochloric Acid SCHEMBL4236769 0.82 HTR3A (0.38) HTR3ANR4A2F10
SCHEMBL4240199 0.81 L3MBTL1 (0.43) NR4A2
SCHEMBL8346357 0.80 SLC9A1 (0.42) NR4A2AKT1
SCHEMBL4239878 0.79 NR4A2 (0.59) NR4A2
SCHEMBL4245433 0.78 ADRB2 (0.43)

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 claimed
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 claimed
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
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

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 HTR3A 7/4885NR4A2 2855/4885F10 4770/4885

“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.