SCHEMBL5507174

SCHEMBL5507174

COc1ccc2[nH]c(C(=O)c3ccc(F)cc3)cc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.80
HDAC6 Q9UBN7 2/20 0.76
MEN1 O00255 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CYP2C9 P11712 1/20 0.76
TSHR P16473 1/20 0.76
KMT2A Q03164 1/20 0.76
PDGFRB P09619 2/20 0.74
PDGFRA P16234 2/20 0.74
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65

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
SCHEMBL6395923 0.92 HDAC6 (0.84) FLT3HDAC6MEN1CYP1A2CYP3A4
SCHEMBL6420769 0.88 FLT3 (0.80) FLT3HDAC6MEN1CYP1A2CYP3A4
SCHEMBL7060939 0.86 HDAC6 (0.76) FLT3HDAC6MEN1CYP1A2CYP3A4
SCHEMBL7066254 0.86 FLT3 (0.80) FLT3HDAC6MEN1CYP1A2CYP3A4
SCHEMBL6389802 0.86 FLT3 (0.80) FLT3HDAC6MEN1CYP1A2CYP3A4
SCHEMBL29354248 0.86 MEN1 (1.00) FLT3HDAC6MEN1CYP1A2CYP3A4
SCHEMBL5828518 0.86 MEN1 (1.00) FLT3HDAC6MEN1CYP1A2CYP3A4
SCHEMBL6866887 0.85 PDGFRB (1.00) FLT3HDAC6MEN1CYP1A2CYP3A4
SCHEMBL7065510 0.84 HDAC6 (0.72) FLT3HDAC6MEN1CYP1A2CYP3A4
SCHEMBL5716833 0.84 HDAC6 (0.72) FLT3HDAC6MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 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 (3 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 FLT3 3256/4885HDAC6 394/4885MEN1 774/4885
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT FLT3 1953/4885HDAC6 39/4885MEN1 1405/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT FLT3 1953/4885HDAC6 39/4885MEN1 1405/4885

“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.