SCHEMBL4240294

SCHEMBL4240294

O=C(O)c1cn(-c2nccc3ccccc23)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
COMT P21964 1/20 0.45
NR4A2 P43354 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
KDM4E B2RXH2 2/20 0.42
WDR5 P61964 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HTR2C P28335 1/20 0.40
RORC P51449 3/20 0.40
LDHA P00338 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
KDM4A O75164 1/20 0.39
RAB9A P51151 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
HIF1AN Q9NWT6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDC25B P30305 1/20 0.39
MYC P01106 1/20 0.38

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 SCHEMBL4236755 0.86 COMT (0.43) HCAR2COMTNR4A2HRH4HTR2C
SCHEMBL4242161 0.86 KMT2A (0.43) HCAR2COMTKDM4EHRH4RORC
SCHEMBL4240880 0.84 NR4A2 (0.60) NR4A2KDM4EL3MBTL1
SCHEMBL4065134 0.84 HCAR2 (0.48) HCAR2COMTNR4A2NR4A1NR4A3
SCHEMBL8347760 0.82 PLAU (0.44) HCAR2COMTNR4A2HRH4HTR2C
SCHEMBL4240296 0.81 COMT (0.39) HCAR2COMTNR4A2HRH4HTR2C
Hydrochloric Acid SCHEMBL4239816 0.80 COMT (0.39) HCAR2COMTNR4A2HRH4HTR2C
SCHEMBL7173601 0.78 PDE4A (0.50) HCAR2COMTNR4A2NR4A1NR4A3
SCHEMBL3678410 0.78 HTR3A (0.51) NR4A2KDM4ERORCAKR1C3AKR1C1
SCHEMBL28605723 0.76 RPS6KA5 (0.46) NR4A2KDM4ERORCCYP1A2CYP3A4

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 HCAR2 1189/4885COMT 43/4885NR4A2 2855/4885

“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.