SCHEMBL6038003

SCHEMBL6038003

O=C(COCc1ccc(F)cc1)NCCCCCc1csc(Cc2ccc(Cl)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.51
LMNA P02545 4/20 0.51
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
THRB P10828 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRB3 P13945 1/20 0.38

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
SCHEMBL5282822 0.88 HDAC1 (0.46) TP53LMNAHDAC1HDAC6MAPT
SCHEMBL5290863 0.85 HDAC1 (0.44) TP53LMNAHDAC1HDAC6MAPT
SCHEMBL5282979 0.83 TP53 (0.43) TP53LMNAHDAC1HDAC6MAPT
SCHEMBL5280650 0.83 RAB9A (0.45) TP53LMNAHDAC1HDAC6SMN1; SMN2
SCHEMBL5277732 0.82 RAB9A (0.50) TP53LMNAHDAC1HDAC6MAPT
SCHEMBL6038367 0.81 TP53 (0.41) TP53LMNAHDAC1HDAC6POLB
SCHEMBL5286061 0.80 ALDH1A1 (0.55) TP53LMNATHRBSMN1; SMN2MAPT
SCHEMBL5275941 0.80 TP53 (0.55) TP53LMNAMAPTPOLB
SCHEMBL6038118 0.80 HDAC1 (0.39) TP53LMNAHDAC1HDAC6POLB
SCHEMBL6038066 0.80 TP53 (0.41) TP53LMNAHDAC1HDAC6MAPT

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 851/4885HDAC1 1/4885

“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.