SCHEMBL8516366

SCHEMBL8516366

C#CCN1C(=S)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(C)C

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.70
HDAC1 Q13547 4/20 0.65

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
SCHEMBL23260981 0.92 AR (0.72) ARHDAC1
SCHEMBL4021837 0.88 AR (0.74) ARHDAC1
SCHEMBL8587964 0.88 AR (0.55) ARHDAC1
SCHEMBL13647001 0.87 AR (0.72) ARHDAC1
SCHEMBL13647000 0.87 AR (0.74) ARHDAC1
SCHEMBL4024956 0.86 AR (0.77) ARHDAC1
SCHEMBL8704637 0.86 AR (0.77) ARHDAC1
SCHEMBL8516863 0.85 AR (0.79) ARHDAC1
SCHEMBL4020463 0.85 AR (0.77) ARHDAC1
SCHEMBL30291848 0.85 AR (0.77) ARHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854716-A4 ANDROGENIC DIRECTED COMPOSITIONS BIOPHYSICA FOUNDATION (US) 1999-04-07 EP claimed
EP-0854716-A1 ANDROGENIC DIRECTED COMPOSITIONS BIOPHYSICA FOUNDATION (US) 1998-07-29 EP claimed
US-5656651-A DETECTING TUMOR CELLS BIOPHYSICA INC. (US) 1997-08-12 US claimed
WO-1997000071-A1 ANDROGENIC DIRECTED COMPOSITIONS BIOPHYSICA FOUNDATION (US) 1997-01-03 WO claimed
US-9139565-B2 Histone deacetylase (HDAC) inhibitors targeting prostate tumors and methods of making and using thereof GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-22 US disclosed
US-9139565-B2 Histone deacetylase (HDAC) inhibitors targeting prostate tumors and methods of making and using thereof GEORGIA TECH RESEARCH CORPORATION (US) 2015-09-22 US disclosed
US-20130289085-A1 HISTONE DEACETYLASE (HDAC) INHIBITORS TARGETING PROSTATE TUMORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-31 US disclosed
US-20130289085-A1 HISTONE DEACETYLASE (HDAC) INHIBITORS TARGETING PROSTATE TUMORS AND METHODS OF MAKING AND USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-31 US disclosed
EP-0854716-A4 ANDROGENIC DIRECTED COMPOSITIONS BIOPHYSICA FOUNDATION (US) 1999-04-07 EP disclosed
EP-0854716-A1 ANDROGENIC DIRECTED COMPOSITIONS BIOPHYSICA FOUNDATION (US) 1998-07-29 EP disclosed
US-5656651-A DETECTING TUMOR CELLS BIOPHYSICA INC. (US) 1997-08-12 US disclosed
WO-1997000071-A1 ANDROGENIC DIRECTED COMPOSITIONS BIOPHYSICA FOUNDATION (US) 1997-01-03 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-20130289085-A1 HISTONE DEACETYLASE (HDAC) INHIBITORS TARGETING PROSTATE TUMORS AND METHODS OF MAKING AND USING THEREOF HDAC1, HDAC11, HDAC3 AR 12/4885HDAC1 1/4885

“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.