SCHEMBL20003373

SCHEMBL20003373

C=C1N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C(C)(C)N1c1ccc(C(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.57
HDAC1 Q13547 3/20 0.55
PGR P06401 2/20 0.53
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
NR1I2 O75469 1/20 0.53
NR3C1 P04150 1/20 0.53
KLK3 P07288 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
CNR1 P21554 1/20 0.53
TBXA2R P21731 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
GABRA4 P48169 1/20 0.53
GABRE P78334 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
SCHEMBL20003393 0.89 AR (0.64) ARHDAC1PGRGABRPGABRD
SCHEMBL1716398 0.89 AR (0.74) ARHDAC1PGRGABRPGABRD
SCHEMBL20003450 0.87 AR (0.55) ARHDAC1NR3C1
SCHEMBL23080486 0.87 AR (0.66) ARPGRGABRPGABRDNR1I2
SCHEMBL21155289 0.86 AR (0.61) ARHDAC1PGRHDAC3HDAC2
SCHEMBL20003367 0.86 AR (0.63) ARPGRGABRPGABRDNR1I2
SCHEMBL21155659 0.85 AR (0.64) ARPGRABCG2
SCHEMBL20003361 0.85 AR (0.77) ARHDAC1PGRABCG2
SCHEMBL20003364 0.85 AR (0.64) ARPGRABCG2
SCHEMBL20003478 0.85 AR (0.57) ARHDAC1PGRGABRPGABRD

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 4 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-20190210974-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-11 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 (4 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-20190210974-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.