SCHEMBL3552664

SCHEMBL3552664

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.42
HDAC1 Q13547 7/20 0.42
HDAC4 P56524 6/20 0.42
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
ATP1A1 P05023 1/20 0.38
ATP1B1 P05026 1/20 0.38
ATP1A3 P13637 1/20 0.38
ATP1B2 P14415 1/20 0.38
ATP1A2 P50993 1/20 0.38
ATP1B3 P54709 1/20 0.38
FXYD2 P54710 1/20 0.38
ATP1A4 Q13733 1/20 0.38
IGF1R P08069 3/20 0.37
NTRK1 P04629 2/20 0.37
AR P10275 1/20 0.37
IDH1 O75874 3/20 0.37
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 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) HDAC6HDAC1HDAC4HDAC3HDAC2
SCHEMBL3558657 0.86 AR (0.51) HDAC6HDAC1HDAC4ATP1A1ATP1B1
SCHEMBL3556828 0.85 HDAC6 (0.38) HDAC6HDAC1HDAC4HDAC3HDAC2
SCHEMBL3551540 0.85 IDH1 (0.39) HDAC6HDAC1HDAC4HDAC3HDAC2
SCHEMBL3553523 0.83 PLK1 (0.44) HDAC6HDAC1HDAC3HDAC2ATP1A1
SCHEMBL3551701 0.83 HDAC3 (0.39) HDAC6HDAC1HDAC3HDAC2ATP1A1
SCHEMBL3555283 0.82 FLT3 (0.47) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3554519 0.82 HDAC4 (0.41) HDAC6HDAC1HDAC4ATP1A1ATP1B1
SCHEMBL3548956 0.81 IGF1R (0.45) HDAC6HDAC1HDAC3HDAC2ATP1A1
SCHEMBL3551698 0.80 HDAC3 (0.41) HDAC6HDAC1HDAC3HDAC2IGF1R

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 6 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 claimed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US claimed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP claimed
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 HDAC6 187/4885HDAC1 124/4885HDAC4 76/4885

“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.