SCHEMBL7934047

SCHEMBL7934047

COc1ccc(C(C)(C)C)cc1NC(=O)CS

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
RECQL P46063 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.56
MAPK14 Q16539 1/20 0.55
PKM P14618 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.51
HSP90AA1 P07900 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
SCHEMBL7934014 0.87 CYP1A2 (0.54) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL23420774 0.84 ALDH1A1 (0.74) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL16106825 0.82 HTT (0.61) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL13947606 0.82 HTT (0.61) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL5807397 0.81 KMT2A (0.73) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL7932275 0.81 SMN1; SMN2 (0.68) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL903579 0.81 MAPK14 (0.62) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL7931375 0.79 KMT2A (0.80) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL1599730 0.79 MEN1 (0.63) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL1599800 0.79 ALDH1A1 (0.61) HTTMEN1KMT2AALDH1A1MAPT

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-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 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 (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-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 HTT 2000/4885MEN1 1392/4885KMT2A 3093/4885

“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.