SCHEMBL7769503

SCHEMBL7769503

NC(=O)CNC(=O)CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC1 Q13547 3/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL7773649 0.90 HDAC1 (0.62) HDAC2HDAC8HDAC6HDAC1HPGD
SCHEMBL7773734 0.88 HDAC1 (0.61) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL7450998 0.85 HDAC2 (0.63) HDAC2HDAC8HDAC6HDAC1MAPT
Hydrocinnamoylglycine SCHEMBL29387246 0.85 HDAC2 (0.63) HDAC2HDAC8HDAC6HDAC1MAPT
Hydrocinnamoylglycine SCHEMBL3995983 0.85 HDAC2 (0.63) HDAC2HDAC8HDAC6HDAC1MAPT
Hydrochloric Acid SCHEMBL3658850 0.85 HDAC2 (0.54) HDAC2HDAC8HDAC6HDAC1MAPT
Hydrochloric Acid SCHEMBL1627384 0.85 HDAC2 (0.54) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL14468015 0.84 HDAC2 (0.56) HDAC2HDAC8MAPTHPGDALDH1A1
SCHEMBL7455811 0.83 HDAC2 (0.66) HDAC2HDAC8HDAC6HDAC1MAPT
SCHEMBL16588648 0.82 ALDH1A1 (0.63) HDAC2HDAC8HDAC6HDAC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200276332-A1 COMPOSITIONS AND METHODS FOR TREATING PAIN DISORDERS MANSELL JOHN (US) 2020-09-03 US disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP 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-20200276332-A1 COMPOSITIONS AND METHODS FOR TREATING PAIN DISORDERS CALCA, CALCB, CALCRL HDAC2 4120/4885HDAC8 3812/4885HDAC6 2847/4885

“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.