SCHEMBL18487536

SCHEMBL18487536

COc1ccc2c(c1)[nH]c1ccc(OS(=O)(=O)c3cccc4c(N(C)C)cccc34)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
CA2 P00918 1/20 0.41
EDNRA P25101 4/20 0.41
TYMS P04818 2/20 0.41
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HTR6 P50406 2/20 0.39

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
SCHEMBL20434638 0.90 KIF11 (0.42) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL689951 0.87 KDM4E (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL18487742 0.84 DYRK1A (0.41) KDM4EALDH1A1HSD17B10HPGDABCG2
SCHEMBL689528 0.82 DYRK1A (0.42) KDM4EALDH1A1HSD17B10HPGDABCG2
SCHEMBL18487738 0.81 DYRK1A (0.39) KDM4EALDH1A1HSD17B10HPGDABCG2
SCHEMBL18488202 0.78 EDNRA (0.49) KDM4EHSD17B10TSHREDNRAHTR6
SCHEMBL18487537 0.77 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL8366343 0.75 CA2 (0.49) KDM4EKMT2AHSD17B10TSHRCA2
SCHEMBL18488198 0.73 EDNRA (0.48) KDM4EMEN1KMT2AHSD17B10HPGD
SCHEMBL711797 0.73 CA2 (0.58) KDM4EKMT2AHSD17B10TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2020-08-06 US disclosed
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2019-03-14 US disclosed
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2019-01-08 US disclosed
US-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2018-08-02 US disclosed
WO-2017023916-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2017-02-09 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-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT KDM4E 1811/4885MEN1 3004/4885ALDH1A1 950/4885
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT KDM4E 1811/4885MEN1 3004/4885ALDH1A1 950/4885
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT KDM4E 1811/4885MEN1 3004/4885ALDH1A1 950/4885
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof AR, KLK3, BRDT KDM4E 1811/4885MEN1 3004/4885ALDH1A1 950/4885

“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.