SCHEMBL4236258

SCHEMBL4236258

COC(=O)c1cn(-c2nccc3ccccc23)c2ccc(C)cc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.42
GLA P06280 1/20 0.42
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BRD4 O60885 1/20 0.41
KDR P35968 1/20 0.40

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
SCHEMBL4240880 0.89 NR4A2 (0.60) NR4A2MAPTKMT2AL3MBTL1KDM4E
SCHEMBL4242161 0.88 KMT2A (0.43) MAPTKMT2AKDM4EMEN1NPC1
Hydrochloric Acid SCHEMBL4239574 0.86 KMT2A (0.41) MAPTKMT2AMEN1NPC1POLB
SCHEMBL4241729 0.83 NPC1 (0.43) MAPTKMT2AL3MBTL1MEN1NPC1
Hydrochloric Acid SCHEMBL4238888 0.83 NPC1 (0.42) MAPTKMT2AL3MBTL1MEN1NPC1
SCHEMBL8346321 0.82 SLC9A1 (0.40) KMT2ANPC1POLBRAB9AKDR
SCHEMBL4236288 0.80 NR4A2 (0.47) NR4A2MAPTKMT2AL3MBTL1KDM4E
SCHEMBL4236172 0.77 NR4A2 (0.45) NR4A2MAPTKMT2AL3MBTL1KDM4E
SCHEMBL6082703 0.75 COMT (0.47) NR4A2MAPTKMT2AKDM4EMEN1
SCHEMBL4240294 0.74 HCAR2 (0.47) NR4A2L3MBTL1KDM4ERAB9A

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.