SCHEMBL20602011

SCHEMBL20602011

CC1(C)CC(=O)c2[nH]c3ccc(Br)cc3c2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
MAPK1 P28482 2/20 0.59
GSK3B P49841 15/20 0.50
CCNB2 O95067 12/20 0.50
CDK1 P06493 12/20 0.50
CCNB1 P14635 12/20 0.50
CCNB3 Q8WWL7 12/20 0.50
CDK5 Q00535 10/20 0.50
CDK5R1 Q15078 10/20 0.50
GSK3A P49840 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ABL1 P00519 2/20 0.48
LCK P06239 2/20 0.48
FYN P06241 2/20 0.48
PIM1 P11309 2/20 0.48
CCNA2 P20248 2/20 0.48
CDK2 P24941 2/20 0.48
FLT4 P35916 2/20 0.48

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
SCHEMBL16248397 0.78 LMNA (0.50) LMNAALDH1A1MAPTMAPK1GSK3B
SCHEMBL4160282 0.77 LMNA (0.82) LMNAALDH1A1MAPTMAPK1GSK3B
SCHEMBL14895916 0.77 HSD17B10 (0.46) LMNAALDH1A1MAPTMAPK1GSK3B
SCHEMBL4156981 0.75 LMNA (0.94) LMNAALDH1A1MAPTMAPK1GSK3B
SCHEMBL31721163 0.75 LMNA (1.00) LMNAALDH1A1MAPTMAPK1GSK3B
SCHEMBL2360729 0.75 LMNA (1.00) LMNAALDH1A1MAPTMAPK1GSK3B
SCHEMBL20602364 0.72 MAPT (0.59) LMNAALDH1A1MAPTMAPK1GSK3B
SCHEMBL20602026 0.71 LMNA (0.56) LMNAALDH1A1MAPTMAPK1GSK3B
SCHEMBL20602008 0.71 LMNA (0.56) LMNAALDH1A1MAPTMAPK1GSK3B
SCHEMBL14731462 0.70 LMNA (0.55) LMNAALDH1A1MAPTMAPK1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11458121-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-10-04 US disclosed
CN-114173780-A Compounds for reducing the deleterious activity of genes containing extended nucleotide repeats 小利兰·斯坦福大学托管委员会 2022-03-11 CN disclosed
US-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-03-03 US disclosed
EP-3897634-A1 COMPOUNDS FOR THE REDUCTION OF THE DELETERIOUS ACTIVITY OF EXTENDED NUCLEOTIDE REPEAT CONTAINING GENES The Board of Trustees of the Leland Stanford Junior University (US) 2021-10-27 EP disclosed
WO-2020131573-A1 COMPOUNDS FOR THE REDUCTION OF THE DELETERIOUS ACTIVITY OF EXTENDED NUCLEOTIDE REPEAT CONTAINING GENES NUREDIS, INC. (US) 2020-06-25 WO disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 WO disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 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 (3 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-11458121-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC10A1, SLC47A1 LMNA 4360/4885ALDH1A1 617/4885MAPT 4110/4885
US-20220062233-A1 Compounds for the Reduction of the Deleterious Activity of Extended Nucleotide Repeat Containing Genes NSUN2, RTCB, RRM2B LMNA 1237/4885ALDH1A1 3113/4885MAPT 3459/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 LMNA 4360/4885ALDH1A1 617/4885MAPT 4110/4885

“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.