SCHEMBL4236196

SCHEMBL4236196

N=C(N)NC(=O)c1cn(-c2cc3ccccc3cn2)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.38
MAPT P10636 2/20 0.38
F10 P00742 2/20 0.36
NR4A2 P43354 1/20 0.35
ROCK1 Q13464 1/20 0.35
CNR2 P34972 2/20 0.34
RORC P51449 1/20 0.34
PLAU P00749 1/20 0.34
CNR1 P21554 1/20 0.34

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
Hydrochloric Acid SCHEMBL4236300 0.99 HTR3A (0.37) HTR3AMAPTF10NR4A2ROCK1
SCHEMBL4244317 0.81 HDAC11 (0.36) HTR3AMAPTF10NR4A2ROCK1
SCHEMBL4242724 0.81 MAPT (0.44) MAPTNR4A2RORC
SCHEMBL4244200 0.81 NR4A2 (0.39) HTR3ANR4A2
Hydrochloric Acid SCHEMBL4236154 0.80 HDAC11 (0.36) HTR3AMAPTF10NR4A2ROCK1
Hydrochloric Acid SCHEMBL4240463 0.80 HDAC1 (0.38) HTR3ANR4A2
SCHEMBL4240296 0.80 COMT (0.39) HTR3AF10NR4A2ROCK1PLAU
SCHEMBL4240311 0.79 NR4A2 (0.59) MAPTNR4A2
Hydrochloric Acid SCHEMBL4239849 0.79 MAPT (0.42) HTR3AMAPTNR4A2RORC
Hydrochloric Acid SCHEMBL4239816 0.79 COMT (0.39) HTR3AF10NR4A2ROCK1PLAU

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 6 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-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-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 7/4885MAPT 1403/4885F10 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.