SCHEMBL19385656

SCHEMBL19385656

O=C(O)N1CCN(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 4/20 0.67
CYP1A2 P05177 1/20 0.61
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 3/20 0.55
HDAC3 O15379 1/20 0.53
ADAM17 P78536 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 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
SCHEMBL19385657 1.00 GPR183 (0.67) GPR183CYP1A2ALDH1A1LMNATP53
SCHEMBL16599159 0.87 GPR183 (0.65) GPR183CYP1A2ALDH1A1LMNATP53
SCHEMBL16599161 0.87 GPR183 (0.65) GPR183CYP1A2ALDH1A1LMNATP53
SCHEMBL1615026 0.85 GPR183 (0.63) GPR183CYP1A2ALDH1A1LMNATP53
SCHEMBL16599253 0.85 GPR183 (0.63) GPR183CYP1A2ALDH1A1LMNATP53
SCHEMBL1615028 0.85 GPR183 (0.63) GPR183CYP1A2ALDH1A1LMNATP53
SCHEMBL16599255 0.85 GPR183 (0.63) GPR183CYP1A2ALDH1A1LMNATP53
SCHEMBL27315288 0.85 LMNA (0.68) GPR183CYP1A2ALDH1A1LMNATP53
SCHEMBL9654409 0.84 RAB9A (0.75) GPR183CYP1A2ALDH1A1SMN1; SMN2MEN1
SCHEMBL9654792 0.84 GPR183 (0.62) GPR183CYP1A2ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-09-26 US disclosed
US-20210186963-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-06-24 US disclosed
US-10980806-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-04-20 US disclosed
EP-3433239-A1 SMALL MOLECULE INHIBITOR OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER University of Pittsburgh- Of the Commonwealth System of Higher Education (US) 2019-01-30 EP disclosed
US-20190022093-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-01-24 US disclosed
WO-2017165822-A1 SMALL MOLECULE INHIBITOR OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-09-28 WO 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-20210186963-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, NR0B1, NCOA3 GPR183 515/4885CYP1A2 1050/4885ALDH1A1 2155/4885
US-20190022093-A1 SMALL MOLECULE INHIBITORS OF THE NUCLEAR TRANSLOCATION OF ANDROGEN RECEPTOR FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, NR0B1, NCOA3 GPR183 485/4885CYP1A2 1118/4885ALDH1A1 2164/4885
US-11766433-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 GPR183 508/4885CYP1A2 1090/4885ALDH1A1 2121/4885
US-10980806-B2 Small molecule inhibitors of the nuclear translocation of androgen receptor for the treatment of castration-resistant prostate cancer AR, NR0B1, NCOA3 GPR183 508/4885CYP1A2 1090/4885ALDH1A1 2121/4885

“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.