SCHEMBL23054831

SCHEMBL23054831

O=C(OCCN(CCCc1ccccc1)Cc1ccc(C2C#CC2C(=O)NO)cc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 6/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HDAC1 Q13547 5/20 0.35
▸ HDAC3 O15379 4/20 0.35
▸ HDAC2 Q92769 4/20 0.35
▸ HDAC8 Q9BY41 4/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35

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
SCHEMBL23054920 0.83 HDAC1 (0.46) ALDH1A1MEN1KMT2AHDAC1HDAC3
SCHEMBL8244013 0.79 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL23055081 0.79 HDAC1 (0.47) HTTHDAC1HDAC3HDAC2HDAC8
SCHEMBL23055072 0.72 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL23054780 0.70 SMN1; SMN2 (0.41) ALDH1A1KMT2AKDM4EHTTHDAC1
SCHEMBL23054914 0.70 HDAC1 (0.49) MEN1KMT2AHDAC1HDAC3HDAC2
SCHEMBL23054881 0.70 HDAC1 (0.56) MEN1KMT2AKDM4EHDAC1HDAC3
SCHEMBL23054859 0.69 HDAC1 (0.46) ALDH1A1KMT2AHDAC1HDAC3HDAC2
SCHEMBL23054834 0.69 HDAC1 (0.57) KMT2AHDAC1HDAC3HDAC2HDAC8
SCHEMBL23055063 0.68 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC8HDAC4

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-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 — — 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-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 FKBP1A 612/4885ALDH1A1 3068/4885MEN1 4342/4885

“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.

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