SCHEMBL7034839

SCHEMBL7034839

Cc1cc(N2C(=O)C3(CCC3)N(c3ccc(C(=O)Nc4ccc(C(F)(F)F)c(C#N)c4)cc3)C2=S)ccc1C#N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.57
HDAC1 Q13547 2/20 0.51
NR3C1 P04150 1/20 0.50
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48

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
SCHEMBL2632993 0.94 AR (0.57) ARHDAC1NR3C1GABRPGABRD
SCHEMBL1715562 0.93 AR (0.64) ARHDAC1NR3C1
SCHEMBL30184864 0.93 AR (0.64) ARHDAC1NR3C1
SCHEMBL7031925 0.87 AR (0.66) AR
SCHEMBL20003455 0.83 AR (0.52) ARHDAC1NR3C1
SCHEMBL11893309 0.83 AR (0.52) ARHDAC1NR3C1GABRPGABRD
SCHEMBL1715104 0.82 AR (0.69) ARHDAC1NR3C1GABRPGABRD
SCHEMBL30184903 0.82 AR (0.69) ARHDAC1NR3C1GABRPGABRD
SCHEMBL10072559 0.81 AR (0.59) ARHDAC1NR3C1
SCHEMBL23463961 0.79 AR (0.74) ARNR3C1GABRPGABRDGABRA1

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-20120295944-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS WITH DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 US disclosed
US-8183274-B2 Treatment of hyperproliferative disorders with diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-22 US disclosed
US-20100172975-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS WITH DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 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 (2 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-20120295944-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS WITH DIARYLHYDANTOIN COMPOUNDS CDK4, CCNH, VHL AR 113/4885HDAC1 952/4885NR3C1 1031/4885
US-20100172975-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS WITH DIARYLHYDANTOIN COMPOUNDS CDK4, CCNH, VHL AR 113/4885HDAC1 952/4885NR3C1 1031/4885

“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.