SCHEMBL23054938

SCHEMBL23054938

O=C(CCc1ccc(CNCCc2c[nH]c3ncccc23)cc1)NO

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.70
▸ MTNR1A P48039 1/20 0.55
▸ HTR6 P50406 1/20 0.49
▸ HDAC6 Q9UBN7 4/20 0.48
▸ HDAC3 O15379 3/20 0.48
▸ HDAC2 Q92769 3/20 0.48
▸ HDAC8 Q9BY41 3/20 0.48
▸ HDAC4 P56524 2/20 0.48
▸ HDAC7 Q8WUI4 2/20 0.48
▸ HDAC10 Q969S8 2/20 0.48
▸ HDAC11 Q96DB2 2/20 0.48
▸ HDAC9 Q9UKV0 2/20 0.48
▸ HDAC5 Q9UQL6 2/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ GPR84 Q9NQS5 1/20 0.45
▸ MET P08581 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL13949974 0.82 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL857490 0.77 MET (0.59) HDAC1MTNR1AKMT2AGPR84MET
SCHEMBL23054978 0.76 LTA4H (0.54) HDAC1MTNR1AHDAC6HDAC3HDAC2
SCHEMBL857812 0.76 MTNR1A (0.57) HDAC1MTNR1AKMT2AGPR84MET
SCHEMBL30526532 0.74 MTNR1A (0.64) HDAC1MTNR1AKMT2AGPR84MET
SCHEMBL23055027 0.74 HDAC3 (0.74) HDAC1MTNR1AHDAC6HDAC3HDAC2
SCHEMBL857660 0.73 CYP3A4 (0.63) MTNR1AKMT2AGPR84MET
SCHEMBL857639 0.72 HTT (0.53) HDAC1MTNR1AKMT2ANAMPTGPR84
SCHEMBL23055060 0.72 HDAC1 (0.72) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL25029864 0.72 MTNR1A (0.64) HDAC1MTNR1AHTR6KMT2AGPR84

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 HDAC1 2/4885MTNR1A 4070/4885HTR6 2556/4885

“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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