SCHEMBL3558769

SCHEMBL3558769

COC(=O)c1cnc(N[C@@H](C)c2ccccc2)nc1-c1cnc2c(C)cccn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IGF1R P08069 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC8 Q9BY41 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
PPP1CA P62136 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK14 Q16539 1/20 0.38
DRD1 P21728 1/20 0.38
IDH1 O75874 1/20 0.37
BDKRB1 P46663 2/20 0.37

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
SCHEMBL3552661 0.92 TP53 (0.43) TP53MAPTSMN1; SMN2IGF1RHDAC3
SCHEMBL3551738 0.90 MAPK14 (0.41) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3552338 0.90 TP53 (0.42) TP53MAPTSMN1; SMN2IGF1RHDAC3
SCHEMBL3550460 0.85 IGF1R (0.43) TP53SMN1; SMN2IGF1RHDAC3HDAC1
SCHEMBL3551921 0.84 TP53 (0.43) TP53SMN1; SMN2IGF1RHDAC3HDAC1
SCHEMBL3551698 0.84 HDAC3 (0.41) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3551710 0.83 TP53 (0.40) TP53SMN1; SMN2IGF1RHDAC3HDAC1
SCHEMBL3548594 0.82 MAPK14 (0.40) TP53SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL3554499 0.82 IGF1R (0.39) TP53SMN1; SMN2IGF1RHDAC3HDAC1
SCHEMBL3552537 0.82 TP53 (0.39) TP53SMN1; SMN2HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101048406-B Novel substituted imidazole derivatives BANYU PHARMA CO LTD 2010-12-22 CN disclosed
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
CN-101048406-A Novel substituted imidazole derivatives BANYU PHARMA CO LTD (JP) 2007-10-03 CN 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 TP53 238/4885MAPT 3589/4885SMN1; SMN2 3452/4885

“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.