SCHEMBL5206026

SCHEMBL5206026

COC(=O)CC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.75
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 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
SCHEMBL2105705 0.84 TSHR (0.69) HPGDKMT2AMEN1TDP1ALDH1A1
SCHEMBL16140981 0.84 KMT2A (1.00) HPGDKMT2AMEN1TDP1NPC1
SCHEMBL13841452 0.83 POLB (0.74) HPGDKMT2AMEN1TDP1HTT
SCHEMBL10016247 0.83 MEN1 (0.55) HPGDKMT2AMEN1HTTALDH1A1
SCHEMBL971460 0.81 HPGD (1.00) HPGDKMT2AMEN1TDP1NPC1
SCHEMBL5347276 0.81 RAB9A (0.53) HPGDKMT2AMEN1TDP1NPC1
SCHEMBL6663354 0.81 MEN1 (0.53) HPGDKMT2AMEN1RAB9AHTT
SCHEMBL680052 0.81 ALDH1A1 (0.69) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL307601 0.81 MAPT (0.59) HPGDKMT2AMEN1RAB9AHTT
SCHEMBL1225424 0.81 KMT2A (0.77) HPGDKMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 HPGD 6/4885KMT2A 2664/4885MEN1 4426/4885

“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.