SCHEMBL4239906

SCHEMBL4239906

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
KMT2A Q03164 1/20 0.41
KDM4C Q9H3R0 2/20 0.41
NTSR1 P30989 1/20 0.40
AKT1 P31749 1/20 0.39
PDGFRB P09619 1/20 0.39
CLK1 P49759 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 1/20 0.39
MAPT P10636 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 SCHEMBL4239887 0.90 KCNH2 (0.40) KCNH2KMT2ANTSR1AKT1PDGFRB
SCHEMBL4236145 0.87 GAA (0.47) KCNH2KMT2ANTSR1KDM4EALDH1A1
SCHEMBL4244849 0.86 RORC (0.43) KMT2AKDM4CPDGFRBKDM4EALDH1A1
SCHEMBL4236274 0.86 PTGDR2 (0.48) KCNH2KMT2AKDM4CKDM4EALDH1A1
SCHEMBL4240886 0.86 KDM4E (0.43) KMT2AKDM4CPDGFRBKDM4EALDH1A1
SCHEMBL4240969 0.83 MALT1 (0.38) KCNH2NTSR1AKT1PDGFRBCLK1
SCHEMBL4241084 0.79 KDM4E (0.43) KMT2AKDM4CKDM4EALDH1A1GAA
SCHEMBL4242991 0.79 LMNA (0.53) KMT2AKDM4CKDM4EALDH1A1PKM
SCHEMBL4244244 0.78 PTGDR2 (0.45) KCNH2KMT2ANTSR1HTTSMN1; SMN2
SCHEMBL4238424 0.78 RORC (0.39) KCNH2KMT2AKDM4CSMN1; SMN2RORC

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 KCNH2 1791/4885KMT2A 3073/4885KDM4C 943/4885

“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.