SCHEMBL20528487

SCHEMBL20528487

O=C(O)N1CCCCC1c1ccnnc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.46
LMNA P02545 1/20 0.44
PRMT5 O14744 5/20 0.42
WDR77 Q9BQA1 5/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RIPK1 Q13546 1/20 0.40
BACE1 P56817 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL20449190 1.00 SCD (0.46) SCDLMNAPRMT5WDR77KMT2A
SCHEMBL17942557 0.87 SCD (0.43) SCDLMNAPRMT5WDR77KMT2A
SCHEMBL7520129 0.83 PRMT5 (0.53) SCDLMNAPRMT5WDR77KMT2A
SCHEMBL22473247 0.81 LMNA (0.44) LMNAPRMT5WDR77KMT2AKDM4E
SCHEMBL28670876 0.81 LMNA (0.44) LMNAPRMT5WDR77KMT2AKDM4E
Oxalic Acid SCHEMBL1532842 0.79 ALDH1A1 (0.59) LMNAPRMT5WDR77KMT2AKDM4E
SCHEMBL27574946 0.78 RIPK1 (0.62) SCDPRMT5WDR77RIPK1BACE1
SCHEMBL27574934 0.78 RIPK1 (0.62) SCDPRMT5WDR77RIPK1BACE1
SCHEMBL216202 0.78 RIPK1 (0.62) SCDPRMT5WDR77RIPK1BACE1
Water SCHEMBL27700791 0.76 RIPK1 (0.60) SCDPRMT5WDR77RIPK1BACE1

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
CN-108290881-B Therapeutic compounds and methods of use thereof 健泰科生物技术公司 2021-12-07 CN disclosed
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-11 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 (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-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB SCD 4468/4885LMNA 941/4885PRMT5 92/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB SCD 4468/4885LMNA 941/4885PRMT5 92/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB SCD 4468/4885LMNA 941/4885PRMT5 92/4885

“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.