SCHEMBL3575929

SCHEMBL3575929

O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 10/20 0.76
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FOXO1 Q12778 1/20 0.51
HPSE Q9Y251 2/20 0.50
SCD O00767 1/20 0.49

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
SCHEMBL5897429 0.87 CHEK2 (0.70) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL1381456 0.86 CHEK2 (0.85) CHEK2
SCHEMBL5177605 0.82 CHEK2 (0.68) CHEK2KMT2A
SCHEMBL10086452 0.78 CHEK2 (0.62) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL5898191 0.77 CHEK2 (0.74) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL23388266 0.76 VCAM1 (0.53) CHEK2KDM4EALDH1A1HPGDLMNA
SCHEMBL5897634 0.76 CHEK2 (0.68) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL10656533 0.74 KDR (0.56) CHEK2KMT2ALMNA
SCHEMBL4191143 0.74 DGAT1 (0.74) CHEK2KMT2A
SCHEMBL3916733 0.74 CHEK2 (0.71) CHEK2

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-7687639-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA N.V. (BE) 2010-03-30 US disclosed
US-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines BW CONVERTING AB (SE) 2006-11-09 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-20060252793-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDKN1A, DDB1, TMBIM6 CHEK2 14/4885KDM4E 3815/4885ALDH1A1 1427/4885

“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.