SCHEMBL4237200

SCHEMBL4237200

COC(=O)c1cn(-c2ccnc3c(C(F)(F)F)cccc23)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.52
NCF1 P14598 1/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PSMD14 O00487 1/20 0.42
THRB P10828 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
RORC P51449 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL4237119 0.88 NCF1 (0.47) NCF1L3MBTL1KDM4ERORC
SCHEMBL4239334 0.87 NCF1 (0.46) NCF1RORC
Hydrochloric Acid SCHEMBL4248081 0.86 NCF1 (0.46) NCF1RORC
SCHEMBL4240984 0.83 NCF1 (0.43) NCF1L3MBTL1RORC
Hydrochloric Acid SCHEMBL4239416 0.82 NCF1 (0.43) NCF1L3MBTL1RORC
SCHEMBL4239994 0.81 NR4A2 (0.60) NR4A2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL4240369 0.81 NR4A2 (0.52) NR4A2NCF1KMT2AMEN1ALDH1A1
SCHEMBL4236075 0.81 NR4A2 (0.52) NR4A2KMT2AMEN1ALDH1A1MAPT
SCHEMBL22492328 0.79 PSMD14 (0.64) NCF1L3MBTL1MAPTKDM4EPSMD14
SCHEMBL4243232 0.78 NR4A2 (0.56) NR4A2KMT2AMEN1ALDH1A1SMN1; SMN2

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-7638521-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-12-29 US disclosed
US-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-28 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-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C NR4A2 2855/4885NCF1 3098/4885KMT2A 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.