SCHEMBL20003361

SCHEMBL20003361

C=C1N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C(C)(C)N1c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.77
HDAC1 Q13547 1/20 0.54
PGR P06401 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53

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
SCHEMBL23080486 0.93 AR (0.66) ARPGRABCG2
SCHEMBL21155659 0.91 AR (0.64) ARPGRABCG2
SCHEMBL20003364 0.91 AR (0.64) ARPGRABCG2
SCHEMBL20003367 0.90 AR (0.63) ARPGRABCG2
SCHEMBL20003461 0.90 AR (0.63) ARHDAC1PGRABCG2
SCHEMBL21155289 0.89 AR (0.61) ARHDAC1PGRABCG2
SCHEMBL1715956 0.87 AR (1.00) ARHDAC1PGRABCG2
SCHEMBL21155731 0.86 AR (0.61) ARHDAC1PGRABCG2
SCHEMBL21155607 0.86 AR (0.61) ARHDAC1
SCHEMBL20003478 0.85 AR (0.57) ARHDAC1PGRABCG2

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-20210238145-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 US disclosed
US-20210069154-A1 Treatment of Breast Cancer MEDIVATION PROSTATE THERAPEUTICS LLC 2021-03-11 US disclosed
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 (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-20180086718-A1 Diarylhydantoin Compounds BPHL, AR, SHBG AR 2/4885HDAC1 183/4885PGR 404/4885
US-20210069154-A1 Treatment of Breast Cancer BRCA1, TP53, TUBB6 AR 2403/4885HDAC1 2205/4885PGR 5/4885
US-20210238145-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG AR 2/4885HDAC1 183/4885PGR 404/4885

“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.