SCHEMBL23015352

SCHEMBL23015352

CC(C)(C)OC(=O)N1Cc2cn(-c3ccc(Br)cc3)nc2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
PDK2 Q15119 1/20 0.43
SLC34A1 Q06495 1/20 0.40
GPR119 Q8TDV5 3/20 0.40
ESR2 Q92731 1/20 0.39
NAMPT P43490 1/20 0.39
SLC6A9 P48067 3/20 0.39
NR1H2 P55055 2/20 0.39
MAPK1 P28482 1/20 0.39
RORC P51449 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
GRM5 P41594 2/20 0.38
GRM1 Q13255 2/20 0.38
ESRRB O95718 1/20 0.38
ESR1 P03372 1/20 0.38
ESRRA P11474 1/20 0.38
ESRRG P62508 1/20 0.38

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
SCHEMBL17202429 0.88 GRM5 (0.49) HDAC1PDK2SLC34A1GPR119ESR2
SCHEMBL28967185 0.86 PDK2 (0.42) HDAC1PDK2SLC34A1GPR119ESR2
SCHEMBL21525539 0.85 PDK2 (0.44) HDAC1PDK2SLC34A1GPR119ESR2
SCHEMBL18883091 0.85 PDK2 (0.41) HDAC1PDK2SLC34A1GPR119ESR2
SCHEMBL30866165 0.84 MAPT (0.57) HDAC1PDK2SLC34A1GPR119ESR2
SCHEMBL1172017 0.84 PDK2 (0.47) PDK2GPR119ESR2NR1H2RORC
SCHEMBL30834648 0.82 GPR119 (0.44) HDAC1PDK2SLC34A1GPR119
SCHEMBL30899238 0.81 SLC34A1 (0.45) HDAC1PDK2SLC34A1ESR2SLC6A9
SCHEMBL28967191 0.81 PDK2 (0.41) PDK2SLC6A9
SCHEMBL23015254 0.81 USP30 (0.44) HDAC1PDK2SLC34A1GPR119ESR2

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-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS FOX CHASE CHEMICAL DIVERSITY CENTER INC. 2022-12-08 US disclosed
EP-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP disclosed
CN-114667145-A Molecules that bind to TDP-43 for the treatment of amyotrophic lateral sclerosis and related disorders 拜尔哈文制药股份有限公司 2022-06-24 CN disclosed
WO-2021035101-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-25 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 (1 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-20220388962-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS TARDBP, TDP1, TDP2 HDAC1 1917/4885PDK2 3566/4885SLC34A1 2846/4885

“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.