SCHEMBL23947732

SCHEMBL23947732

C=CC(=O)N1CCN(C(=O)CN2CCc3ccccc3C2c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.61
PRCP P42785 3/20 0.59
HDAC3 O15379 5/20 0.53
HDAC1 Q13547 5/20 0.53
NCOR2 Q9Y618 5/20 0.53
HDAC2 Q92769 4/20 0.53
HHAT Q5VTY9 3/20 0.44
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL23947733 0.88 HDAC8 (0.46) HDAC8PRCPHDAC3HDAC1NCOR2
SCHEMBL23948064 0.87 HDAC8 (0.45) HDAC8PRCPHDAC3HDAC1NCOR2
SCHEMBL29763681 0.87 HDAC8 (0.45) HDAC8PRCPHDAC3HDAC1NCOR2
SCHEMBL23948063 0.87 HDAC8 (0.45) HDAC8PRCPHDAC3HDAC1NCOR2
SCHEMBL23926162 0.87 HDAC8 (0.45) HDAC8PRCPHDAC3HDAC1NCOR2
SCHEMBL23948065 0.85 HDAC8 (0.43) HDAC8PRCPHDAC3HDAC1NCOR2
SCHEMBL23947736 0.84 HCRTR1 (0.44) HDAC8PRCPHDAC3HDAC1NCOR2
SCHEMBL23948062 0.84 RBP4 (0.43) HDAC8PRCPHDAC3HDAC1NCOR2
SCHEMBL1016391 0.83 HDAC8 (0.60) HDAC8PRCPHDAC3HDAC1NCOR2
SCHEMBL23948069 0.81 HDAC8 (0.41) HDAC8PRCPHDAC3HDAC1NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047626-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY 2023-02-16 US disclosed
US-20220142973-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY 2022-05-12 US disclosed
WO-2021212010-A2 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2021-10-21 WO 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 (2 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-20230047626-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS TP53, EIF2AK2, POLI HDAC8 988/4885PRCP 1119/4885HDAC3 2530/4885
US-20220142973-A1 SMALL MOLECULE ANTIVIRAL DRUG TREATMENT FOR HUMAN PAPILLOMAVIRUS INFECTIONS TP53, EIF2AK2, POLI HDAC8 988/4885PRCP 1119/4885HDAC3 2530/4885

“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.