SCHEMBL21854489

SCHEMBL21854489

C=C(OCC)c1nc(Cl)ncc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TLR9 Q9NR96 1/20 0.38
DGAT1 O75907 1/20 0.35
GLP1R P43220 1/20 0.32
HPGD P15428 2/20 0.32
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ATF1 P18846 1/20 0.31
NFKB1 P19838 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL29174628 0.87 MAPT (0.48) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL30725465 0.87 MAPT (0.48) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL15109519 0.84 MAPT (0.37) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL4184662 0.84 ALDH1A1 (0.41) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL19173954 0.83 ALDH1A1 (0.34) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL458516 0.83 ALDH1A1 (0.41) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL21678973 0.80 ALDH1A1 (0.51) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL16449235 0.77 ALDH1A1 (0.40) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL690399 0.75 DGAT1 (0.46) ALDH1A1MAPTNPC1TP53XBP1
SCHEMBL30937640 0.73 ALDH1A1 (0.38) ALDH1A1MAPTNPC1TP53XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684633-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-09-24 CN disclosed
CN-113195441-B Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-07-12 CN disclosed
CN-116731038-A Nitrogen-containing heterocyclic compound, and preparation method and application thereof 苏州亚盛药业有限公司 2023-09-12 CN disclosed
US-20220380325-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-12-01 US disclosed
CN-113195441-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2021-07-30 CN disclosed
US-11059795-B2 Androgen receptor modulators and methods for their use ESSA PHARMA, INC. (CA) 2021-07-13 US disclosed
US-11059795-B2 Androgen receptor modulators and methods for their use ESSA PHARMA, INC. (CA) 2021-07-13 US disclosed
US-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-08-06 US disclosed
US-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-08-06 US disclosed
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 US disclosed
WO-2020081999-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 WO disclosed
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 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-20200247763-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 ALDH1A1 758/4885MAPT 2224/4885NPC1 2171/4885
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 ALDH1A1 758/4885MAPT 2224/4885NPC1 2171/4885
US-11059795-B2 Androgen receptor modulators and methods for their use AR, NR5A1, CYP17A1 ALDH1A1 758/4885MAPT 2224/4885NPC1 2171/4885
US-20220380325-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 ALDH1A1 758/4885MAPT 2224/4885NPC1 2171/4885

“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.