SCHEMBL3551701

SCHEMBL3551701

C[C@H](Nc1ncc(Br)c(-c2cnc3c(C=O)cccn23)n1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
IGF1R P08069 3/20 0.37
NTRK1 P04629 2/20 0.37
IDH1 O75874 7/20 0.36
RPS6KB1 P23443 3/20 0.36
ATP1A1 P05023 3/20 0.35
ATP1B1 P05026 3/20 0.35
ATP1A3 P13637 3/20 0.35
ATP1B2 P14415 3/20 0.35
ATP1A2 P50993 3/20 0.35
ATP1B3 P54709 3/20 0.35
FXYD2 P54710 3/20 0.35
ATP1A4 Q13733 3/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL3554499 0.86 IGF1R (0.39) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3551540 0.85 IDH1 (0.39) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3551710 0.84 TP53 (0.40) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3556828 0.83 HDAC6 (0.38) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3552664 0.83 HDAC6 (0.42) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3553523 0.83 PLK1 (0.44) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3551698 0.82 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3548956 0.81 IGF1R (0.45) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3555067 0.76 BRD4 (0.44) HDAC3HDAC1HDAC2HDAC6IGF1R
SCHEMBL3555366 0.75 IGF1R (0.41) HDAC3HDAC1HDAC2HDAC6IGF1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A HDAC3 278/4885HDAC1 124/4885HDAC2 274/4885

“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.