SCHEMBL17064260

SCHEMBL17064260

CC(C)(C)[Si](C)(C)OCCc1ccc(NC(=O)CCCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
KDM1A O60341 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56

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
SCHEMBL17064253 0.90 HDAC3 (0.47) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18421832 0.86 HDAC3 (0.45) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18421831 0.86 HDAC3 (0.45) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18416966 0.83 HDAC3 (0.42) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23303121 0.82 NPC1 (0.43) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL18421631 0.78 MLYCD (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9185281 0.78 IDO1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15
SCHEMBL7636110 0.77 TRPV1 (0.77) TRPV1HDAC3HDAC4HDAC1HDAC7
SCHEMBL17064298 0.76 MLYCD (0.47) HTT
SCHEMBL8012743 0.76 TRPV1 (0.81) TRPV1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2023-01-31 US disclosed
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY 2021-01-14 US disclosed
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-02 US disclosed
EP-3114109-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) The Johns Hopkins University (US) 2017-01-11 EP disclosed
WO-2015134973-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) THE JOHNS HOPKINS UNIVERSITY (US) 2015-09-11 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 (3 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-11565994-B2 Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) KDM1B, KDM2A, EHMT2 TRPV1 3975/4885HDAC3 68/4885HDAC4 42/4885
US-20210009511-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 TRPV1 3975/4885HDAC3 68/4885HDAC4 42/4885
US-20170029366-A1 INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) KDM1B, KDM2A, EHMT2 TRPV1 3975/4885HDAC3 68/4885HDAC4 42/4885

“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.