SCHEMBL6037994

SCHEMBL6037994

O=C(COCc1ccc(F)cc1)NCCCCCc1csc(C(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
ADRB3 P13945 1/20 0.38
MAPT P10636 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL5286061 0.85 ALDH1A1 (0.55) TP53LMNAPOLBGAAALDH1A1
SCHEMBL6038116 0.83 TP53 (0.39) TP53LMNAPOLBGAAHTT
SCHEMBL5280650 0.82 RAB9A (0.45) TP53LMNAMAPTHDAC1HDAC6
SCHEMBL6038018 0.81 RAB9A (0.48)
SCHEMBL5282822 0.81 HDAC1 (0.46) TP53LMNAMAPTHDAC1HDAC6
SCHEMBL5290863 0.81 HDAC1 (0.44) TP53LMNAGAAALDH1A1HTT
SCHEMBL6037944 0.81 LMNA (0.48) TP53LMNAPOLBMAPT
SCHEMBL5280368 0.81 RAB9A (0.43) TP53LMNAGAAHTTMAPT
SCHEMBL5282979 0.81 TP53 (0.43) TP53LMNAPOLBGAAALDH1A1
SCHEMBL5289055 0.80 TP53 (0.47) TP53LMNAPOLBGAAALDH1A1

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 TP53 2551/4885LMNA 851/4885POLB 820/4885

“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.