SCHEMBL4236288

SCHEMBL4236288

COC(=O)c1cn(-c2ccnc3ccccc23)c2ccc(C)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.47
MAPT P10636 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
BRD4 O60885 1/20 0.41
KDR P35968 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM5A P29375 1/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4239994 0.89 NR4A2 (0.60) NR4A2MAPTKMT2AL3MBTL1KDM4E
SCHEMBL4235849 0.88 KMT2A (0.47) NR4A2MAPTKMT2AKDM4EMEN1
SCHEMBL4236145 0.88 GAA (0.47) NR4A2MAPTPTGDR2KMT2AKDM4E
SCHEMBL4236274 0.88 PTGDR2 (0.48) MAPTPTGDR2KMT2AKDM4EMEN1
SCHEMBL4244244 0.87 PTGDR2 (0.45) PTGDR2KMT2AMEN1KDRSMN1; SMN2
Hydrochloric Acid SCHEMBL4235822 0.86 PTGDR2 (0.44) PTGDR2KMT2AMEN1KDRSMN1; SMN2
SCHEMBL4239873 0.84 KMT2A (0.47) NR4A2PTGDR2KMT2AL3MBTL1KDM4E
SCHEMBL4241847 0.83 PTGDR2 (0.41) MAPTPTGDR2KMT2AKDRSMN1; SMN2
SCHEMBL8349128 0.82 SLC9A1 (0.49) PTGDR2KMT2AMEN1KDR
Hydrochloric Acid SCHEMBL4241861 0.82 PTGDR2 (0.40) MAPTPTGDR2KMT2AKDRSMN1; 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-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 1403/4885PTGDR2 1004/4885

“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.