SCHEMBL5904089

SCHEMBL5904089

O=C(CCl)N1CCN(c2nccc(C(F)(F)F)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.60
SLC6A7 Q99884 1/20 0.60
ADRB1 P08588 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
PARP1 P09874 1/20 0.48
KMT2A Q03164 2/20 0.48
CHRM4 P08173 1/20 0.48
RBP4 P02753 1/20 0.46
PANK3 Q9H999 1/20 0.46
OGA O60502 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44

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
SCHEMBL5232026 0.84 SLC6A7 (0.68) PKMSLC6A7ADRB1CA12CA1
SCHEMBL8354208 0.82 ADRB1 (0.78) PKMSLC6A7ADRB1CA12CA1
SCHEMBL3069202 0.80 PKM (0.77) PKMSLC6A7ADRB1CA12CA1
SCHEMBL8356355 0.79 PKM (0.91) PKMSLC6A7ADRB1CA12CA1
SCHEMBL18499227 0.78 PKM (0.60) PKMSLC6A7ADRB1CA12CA1
SCHEMBL15503742 0.78 PKM (0.63) PKMSLC6A7ADRB1CA12CA1
SCHEMBL24963646 0.78 ACHE (0.59) PKMSLC6A7ADRB1CA12CA1
SCHEMBL5887976 0.77 KDM4E (0.60) SLC6A7KDM4EALDH1A1KMT2AMEN1
SCHEMBL9108819 0.77 PARP1 (0.56) PKMSLC6A7ADRB1CA12CA1
SCHEMBL27077801 0.76 TIPARP (0.53) ALDH1A1KMT2ACHRM2MEN1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors ARGENTA DISCOVERY LIMITED 2006-06-08 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-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 PKM 1380/4885SLC6A7 1383/4885ADRB1 4320/4885

“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.