SCHEMBL5508959

SCHEMBL5508959

Cn1c(C(=O)c2ccc(F)cc2)cc2cc(Br)ccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.62
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
POLB P06746 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 1/20 0.47
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL5504692 0.87 MCL1 (0.64) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5505981 0.79 KDM4E (0.50) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5507402 0.79 HSD17B10 (0.50) KDM4EALDH1A1HPGDHSD17B10CLK1
SCHEMBL418126 0.77 MCL1 (1.00) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16440985 0.77 MCL1 (0.76) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3534182 0.76 MCL1 (0.73) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5507214 0.74 SRD5A2 (0.71) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL31435640 0.74 MCL1 (0.69) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1096760 0.74 L3MBTL1 (0.70) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10084917 0.74 MCL1 (0.69) MCL1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035521-A Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO KGAA (DE) 2007-09-12 CN claimed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP claimed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO claimed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
CN-101035521-A Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO KGAA (DE) 2007-09-12 CN disclosed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 MCL1 2484/4885KDM4E 3234/4885ALDH1A1 934/4885

“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.