SCHEMBL6038110

SCHEMBL6038110

O=C(COCc1ccc(F)cc1)NCCCCCc1csc(-c2sccc2Br)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.45
LMNA P02545 4/20 0.45
MAPT P10636 4/20 0.43
POLB P06746 3/20 0.40
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL6037970 0.86 TP53 (0.54) TP53LMNAMAPTPOLBRXFP1
SCHEMBL5286061 0.84 ALDH1A1 (0.55) TP53LMNAMAPTPOLBALDH1A1
SCHEMBL5275941 0.84 TP53 (0.55) TP53LMNAMAPTPOLBRXFP1
SCHEMBL5289055 0.81 TP53 (0.47) TP53LMNAMAPTPOLBALDH1A1
SCHEMBL5284789 0.81 TP53 (0.47) TP53LMNAMAPTPOLBRXFP1
SCHEMBL5281003 0.81 TP53 (0.68) TP53LMNAMAPTPOLBRXFP1
SCHEMBL5280650 0.81 RAB9A (0.45) TP53LMNAMAPTRAB9AHDAC1
SCHEMBL5286194 0.81 TP53 (0.53) TP53LMNAMAPTALDH1A1GAA
SCHEMBL5282822 0.81 HDAC1 (0.46) TP53LMNAMAPTRAB9AHDAC1
SCHEMBL6037972 0.80 TP53 (0.47) TP53LMNAMAPTPOLBALDH1A1

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 851/4885MAPT 3848/4885

“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.