SCHEMBL20003455

SCHEMBL20003455

C=C1N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C2(CCC2)N1c1ccc(C(=O)Nc2ccc(C(F)(F)F)c(C#N)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.52
HDAC1 Q13547 4/20 0.48
NR3C1 P04150 1/20 0.45

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
SCHEMBL30184864 0.90 AR (0.64) ARHDAC1NR3C1
SCHEMBL1715562 0.90 AR (0.64) ARHDAC1NR3C1
SCHEMBL20003468 0.88 AR (0.60) ARHDAC1NR3C1
SCHEMBL20003450 0.84 AR (0.55) ARHDAC1NR3C1
SCHEMBL2632993 0.83 AR (0.57) ARHDAC1NR3C1
SCHEMBL7034839 0.83 AR (0.57) ARHDAC1NR3C1
SCHEMBL20003460 0.83 AR (0.58) ARNR3C1
SCHEMBL7031925 0.82 AR (0.66) AR
SCHEMBL20003471 0.81 AR (0.56) ARNR3C1
SCHEMBL21155267 0.80 AR (0.56) ARNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086718-A1 Diarylhydantoin Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-29 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 (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-20180086718-A1 Diarylhydantoin Compounds BPHL, AR, SHBG AR 2/4885HDAC1 183/4885NR3C1 765/4885

“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.