SCHEMBL31103545

SCHEMBL31103545

NC(=O)CCCC(=O)NCCc1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
LMNA P02545 3/20 0.61
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
TAAR1 Q96RJ0 1/20 0.53
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51

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
SCHEMBL25840478 0.84 HDAC3 (0.77) HPGDLMNAHDAC3HDAC4HDAC1
SCHEMBL10436247 0.81 HDAC3 (0.74) LMNAHDAC3HDAC4HDAC1HDAC2
SCHEMBL25591005 0.81 HPGD (1.00) HPGDLMNATAAR1POLB
SCHEMBL28119473 0.81 HPGD (0.71) HPGDLMNATAAR1PLAAT3PLAAT5
SCHEMBL14893159 0.80 HPGD (0.60) HPGDLMNACA1CA2CA12
SCHEMBL658360 0.79 LMNA (0.54) HPGDLMNATAAR1
SCHEMBL7011664 0.79 HPGD (0.64) HPGDLMNAPOLBEPHX2
SCHEMBL5504740 0.79 KDM4E (0.54) HPGDCA1CA2CA12CA9
SCHEMBL8802829 0.78 CA12 (0.75) HPGDLMNACA1CA2CA12
SCHEMBL3316967 0.78 HPGD (0.68) HPGDLMNACA1CA2CA12

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-20240261307-A1 INHIBITORS OF SARS-COV-2 VIRAL REPLICATION AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2024-08-08 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-20240261307-A1 INHIBITORS OF SARS-COV-2 VIRAL REPLICATION AND USES THEREOF ACE2, ACE, TMPRSS2 HPGD 1314/4885LMNA 3413/4885HDAC3 423/4885

“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.