SCHEMBL4579770

SCHEMBL4579770

O=C(O)c1ccc(N2CCN(Cc3ccncc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DRD4 P21917 3/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
SCHEMBL5632521 0.94 POLB (0.54) POLBHTR2AHTR2CHTR2BITGB3
SCHEMBL6134818 0.89 POLB (0.51) POLBHTR2AHTR2CHTR2BITGB3
SCHEMBL6700832 0.87 POLB (0.60) POLBHTR2AHTR2CHTR2BITGB3
SCHEMBL1066467 0.87 HTR2A (0.72) HTR2AHTR2CHTR2BITGB3ITGA2B
Hydrochloric Acid SCHEMBL4653252 0.85 HTR2A (0.71) HTR2AHTR2CHTR2BITGB3ITGA2B
SCHEMBL15853641 0.85 LSS (0.64) POLBMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6135186 0.85 POLB (0.57) POLBHTR2AHTR2CHTR2BITGB3
SCHEMBL7947516 0.85 KDM4E (0.59) POLBITGB3ITGA2BMAPTSMN1; SMN2
SCHEMBL10900485 0.84 DRD4 (0.68) HTR2AHTR2CHTR2BITGB3ITGA2B
SCHEMBL10898403 0.84 DRD4 (0.68) HTR2AHTR2CHTR2BITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 POLB 488/4885HTR2A 4048/4885HTR2C 4325/4885

“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.