SCHEMBL6038000

SCHEMBL6038000

O=C(COCc1ccc(F)cc1)NCCCc1ccc(CN(CCO)CCc2coc3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.34
CYP3A4 P08684 1/20 0.34
HDAC4 P56524 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 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 0.84 NAMPT (0.57) NAMPTPOLBHDAC3CYP3A4HDAC4
SCHEMBL6038389 0.83 HDAC3 (0.50) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL6038104 0.81 NAMPT (0.45) NAMPTPOLBRAB9AHDAC3CYP3A4
SCHEMBL6037997 0.81 LMNA (0.38) MEN1KMT2ALMNAPOLBRAB9A
SCHEMBL6038096 0.80 NAMPT (0.52) NAMPTPOLBHDAC3CYP3A4HDAC4
SCHEMBL6037966 0.80 NAMPT (0.52) NAMPTPOLBHDAC3CYP3A4HDAC4
SCHEMBL6038340 0.79 SPR (0.51) NAMPTMEN1KMT2AHDAC3CYP3A4
SCHEMBL6038087 0.79 HDAC1 (0.54) NAMPTPOLBMAPTHDAC3CYP3A4
SCHEMBL6038031 0.79 HTR2A (0.47) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL6038067 0.77 HTR1D (0.50) NAMPTMEN1KMT2APOLB

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 1262/4885MEN1 2348/4885KMT2A 30/4885

“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.