SCHEMBL20003480

SCHEMBL20003480

CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCCCCN

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.78
HDAC1 Q13547 4/20 0.75
PGR P06401 1/20 0.66

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
SCHEMBL20003388 1.00 AR (0.78) ARHDAC1PGR
SCHEMBL20003475 1.00 AR (0.78) ARHDAC1PGR
SCHEMBL20003386 0.99 AR (0.80) ARHDAC1PGR
SCHEMBL20003340 0.96 AR (0.81) ARHDAC1
SCHEMBL8865594 0.92 AR (0.78) ARHDAC1PGR
SCHEMBL8516863 0.92 AR (0.79) ARHDAC1
Hydrochloric Acid SCHEMBL22656831 0.91 AR (0.77) ARHDAC1
SCHEMBL3873665 0.90 AR (0.75) ARHDAC1PGR
SCHEMBL3871464 0.90 AR (0.75) ARHDAC1PGR
SCHEMBL8517259 0.90 AR (0.80) ARHDAC1PGR

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.