SCHEMBL4236145

SCHEMBL4236145

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
NR4A2 P43354 4/20 0.46
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 3/20 0.44
PLA2G2A P14555 1/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KCNH2 Q12809 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
NTSR1 P30989 1/20 0.40
MEN1 O00255 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
SCHEMBL4236288 0.88 NR4A2 (0.47) NR4A2KMT2AKDM4ECYP2C19MAPT
SCHEMBL4239994 0.88 NR4A2 (0.60) GAANR4A2KMT2APOLBKDM4E
SCHEMBL4235849 0.87 KMT2A (0.47) GAANR4A2KMT2APOLBKDM4E
SCHEMBL4239906 0.87 KCNH2 (0.41) GAAKMT2AKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL4239887 0.86 KCNH2 (0.40) KMT2AMAPTMAPK1ALDH1A1KCNH2
SCHEMBL4239873 0.83 KMT2A (0.47) NR4A2KMT2AKDM4EPLA2G2ACYP2C19
SCHEMBL4240969 0.82 MALT1 (0.38) CYP2C19KCNH2CYP1A2CYP3A4TSHR
SCHEMBL4242738 0.81 KMT2A (0.47) GAANR4A2KMT2APOLBKDM4E
SCHEMBL4239569 0.79 NR4A2 (0.52) NR4A2KMT2AKDM4EPLA2G2AMAPT
SCHEMBL4241514 0.79 NR4A2 (0.52) GAANR4A2KMT2AKDM4EPLA2G2A

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 GAA 688/4885NR4A2 2855/4885KMT2A 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.