SCHEMBL4240880

SCHEMBL4240880

COC(=O)c1cn(-c2nccc3ccccc23)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.60
MAPT P10636 3/20 0.54
KMT2A Q03164 10/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
THRB P10828 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.44

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
SCHEMBL4236258 0.89 NR4A2 (0.47) NR4A2MAPTKMT2AMEN1KDM4E
SCHEMBL4240294 0.84 HCAR2 (0.47) NR4A2KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL4236755 0.82 COMT (0.43) NR4A2
SCHEMBL3681206 0.80 NR4A2 (0.68) NR4A2MAPTKMT2AMEN1KDM4E
SCHEMBL4240296 0.80 COMT (0.39) NR4A2KMT2APOLB
Hydrochloric Acid SCHEMBL4239816 0.79 COMT (0.39) NR4A2KMT2APOLB
SCHEMBL8347760 0.78 PLAU (0.44) NR4A2
SCHEMBL19100864 0.78 NR4A2 (0.57) NR4A2MAPTKMT2AMEN1KDM4E
SCHEMBL15420930 0.78 NR4A2 (0.64) NR4A2MAPTKMT2AMEN1KDM4E
SCHEMBL6082703 0.78 COMT (0.47) NR4A2MAPTKMT2AMEN1KDM4E

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 1403/4885KMT2A 3073/4885

“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.