SCHEMBL6038104

SCHEMBL6038104

O=C(COCc1ccc(F)cc1)NCCCc1ccc(CN(CCO)CCc2c[nH]c3c(F)cccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.45
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
CYP3A4 P08684 1/20 0.40
HDAC4 P56524 1/20 0.40
KCNH2 Q12809 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MPO P05164 7/20 0.39
SLC6A4 P31645 5/20 0.36
RAB9A P51151 1/20 0.35
ACKR3 P25106 1/20 0.35
SPR P35270 1/20 0.34
MTNR1A P48039 1/20 0.34

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
SCHEMBL6037892 0.89 NAMPT (0.57) NAMPTHDAC1HDAC3CYP3A4HDAC4
SCHEMBL6038340 0.86 SPR (0.51) NAMPTHDAC1HDAC3CYP3A4HDAC4
SCHEMBL6038096 0.85 NAMPT (0.52) NAMPTHDAC1HDAC3CYP3A4HDAC4
SCHEMBL6038087 0.84 HDAC1 (0.54) NAMPTHDAC1HDAC3CYP3A4HDAC4
SCHEMBL6038089 0.84 MPO (0.43) NAMPTHDAC1HDAC3HDAC4HDAC7
SCHEMBL6037966 0.83 NAMPT (0.52) NAMPTHDAC1HDAC3CYP3A4HDAC4
SCHEMBL6038113 0.82 ACHE (0.51) NAMPTCYP3A4MPORAB9ASPR
SCHEMBL6038067 0.82 HTR1D (0.50) NAMPTSLC6A4MTNR1AMTNR1BPOLB
SCHEMBL6038000 0.81 NAMPT (0.41) NAMPTHDAC1HDAC3CYP3A4HDAC4
SCHEMBL6038069 0.80 SPR (0.49) NAMPTMPOSLC6A4SPRMTNR1A

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
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 NAMPT 1262/4885HDAC1 1/4885HDAC3 2/4885

“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.