SCHEMBL3548331

SCHEMBL3548331

C[C@H](Nc1ncc(Br)c(-c2cnc3n2CCCC3)n1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
IGF1R P08069 3/20 0.41
NTRK1 P04629 2/20 0.41
PLK1 P53350 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC6 Q9UBN7 3/20 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
SCHEMBL3559950 0.82 IGF1R (0.44) IGF1RNTRK1PLK1HDAC3HDAC1
SCHEMBL3553849 0.81 MAPK14 (0.48) LMNAHPGDHTTKDM4EMEN1
SCHEMBL3548956 0.74 IGF1R (0.45) IGF1RNTRK1HDAC3HDAC1HDAC2
SCHEMBL3555067 0.72 BRD4 (0.44) IGF1RNTRK1MAPK1HDAC3HDAC1
SCHEMBL3554499 0.72 IGF1R (0.39) SMN1; SMN2IGF1RNTRK1HDAC3HDAC1
SCHEMBL3551540 0.71 IDH1 (0.39) IGF1RNTRK1HDAC3HDAC1HDAC2
SCHEMBL3555366 0.71 IGF1R (0.41) IGF1RNTRK1HDAC3HDAC1HDAC2
SCHEMBL3556828 0.70 HDAC6 (0.38) IGF1RNTRK1MAPK1HDAC3HDAC1
SCHEMBL3552664 0.69 HDAC6 (0.42) IGF1RNTRK1HDAC3HDAC1HDAC2
SCHEMBL3551701 0.69 HDAC3 (0.39) IGF1RNTRK1HDAC3HDAC1HDAC2

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 LMNA 2017/4885HPGD 4322/4885HTT 4485/4885

“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.