SCHEMBL23054821

SCHEMBL23054821

CCCCc1[nH]c2ccccc2c1CCNCc1ccc(CCC(=O)NO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC1 Q13547 16/20 0.52
HDAC2 Q92769 10/20 0.52
HDAC3 O15379 9/20 0.52
NCOR2 Q9Y618 6/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC4 P56524 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC7 Q8WUI4 2/20 0.52

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
SCHEMBL23055049 0.92 HDAC1 (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL13950002 0.91 HDAC1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL20232415 0.85 HDAC1 (0.69) MAPTALOX15TDP1HDAC1HDAC2
SCHEMBL23054956 0.84 HDAC1 (0.53) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL23054882 0.82 HDAC1 (0.70) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL23054900 0.80 HDAC1 (0.58) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL23055053 0.80 HDAC1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL14340060 0.79 HDAC1 (0.57) CYP2C19MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL23055060 0.78 HDAC1 (0.72) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL23055104 0.78 HDAC1 (0.48) HDAC1HDAC2HDAC3NCOR2HDAC8

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 ALDH1A1 3068/4885CYP1A2 3649/4885CYP3A4 2199/4885

“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.