SCHEMBL20833733

SCHEMBL20833733

Clc1cccc(Cl)c1-n1ncc(C2CC2)c1CI

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.40
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK14 Q16539 9/20 0.33
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
GRM2 Q14416 2/20 0.31
TRPV6 Q9H1D0 1/20 0.31
NOTUM Q6P988 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL30034762 0.91 NR1H4 (0.36) NR1H4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30807043 0.91 NR1H4 (0.41) NR1H4MAPK14
SCHEMBL20833800 0.91 NR1H4 (0.36) NR1H4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL20833879 0.91 NR1H4 (0.41) NR1H4MAPK14
SCHEMBL17839932 0.87 NR1H4 (0.41) NR1H4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1097296 0.86 NR1H4 (0.40) NR1H4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1095874 0.86 NR1H4 (0.42) NR1H4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2772447 0.81 NR1H4 (0.39) NR1H4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL22392553 0.80 NR1H4 (0.41) NR1H4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL28410381 0.79 NR1H4 (0.44) NR1H4NPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655680-B Hormone receptor modulators for the treatment of metabolic mutations and fibrotic conditions and disorders 阿德利克斯股份有限公司 2024-03-05 CN disclosed
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
EP-3681881-B1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX INC (US) 2022-11-02 EP disclosed
US-20210380585-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2021-12-09 US disclosed
WO-2019055808-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2019-03-21 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 (2 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-20210380585-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS NR1H4, FXR1, FXR2 NR1H4 1/4885NPC1 2959/4885ALDH1A1 1318/4885
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders NR1H4, FXR1, FXR2 NR1H4 1/4885NPC1 2959/4885ALDH1A1 1318/4885

“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.