SCHEMBL4243232

SCHEMBL4243232

COC(=O)c1cn(-c2cccc3cccnc23)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.56
MAPT P10636 2/20 0.51
KDM4E B2RXH2 5/20 0.50
KMT2A Q03164 7/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 4/20 0.47
SLC40A1 Q9NP59 1/20 0.47
THRB P10828 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
HTR3A P46098 1/20 0.43

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 SCHEMBL4238513 0.84 ALDH1A1 (0.48) MAPTKDM4EALDH1A1GAALMNA
Hydrochloric Acid SCHEMBL4236715 0.83 CYP1A2 (0.43) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL3681206 0.82 NR4A2 (0.68) NR4A2MAPTKDM4EKMT2AMEN1
SCHEMBL4244196 0.80 KDM4E (0.44) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL17782448 0.79 NR4A2 (0.70) NR4A2MAPTKDM4EKMT2AMEN1
SCHEMBL4237200 0.78 NR4A2 (0.52) NR4A2MAPTKDM4EKMT2AMEN1
SCHEMBL15420930 0.78 NR4A2 (0.64) NR4A2MAPTKDM4EKMT2AMEN1
SCHEMBL4238309 0.77 NR4A2 (0.60) NR4A2MAPTKDM4EKMT2AMEN1
SCHEMBL4239994 0.77 NR4A2 (0.60) NR4A2MAPTKDM4EKMT2AMEN1
SCHEMBL4240880 0.77 NR4A2 (0.60) NR4A2MAPTKDM4EKMT2AMEN1

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-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 NR4A2 2855/4885MAPT 1403/4885KDM4E 1286/4885

“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.