SCHEMBL21973384

SCHEMBL21973384

CC(C)CC(=O)NC[C@@H](N)CCCN

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 4/20 0.38
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMB5 P28074 1/20 0.34
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL8766724 0.83 MMP2 (0.35) MMP2NMT2NMT1GNAI3GNAO1
SCHEMBL8766736 0.83 MMP2 (0.35) MMP2NMT2NMT1GNAI3GNAO1
SCHEMBL8766726 0.83 MMP2 (0.35) MMP2NMT2NMT1GNAI3GNAO1
SCHEMBL23168318 0.82 MEN1 (0.42) MMP2KMT2AGNAI3GNAO1GNAI1
SCHEMBL22005704 0.82 MEN1 (0.42) MMP2KMT2AGNAI3GNAO1GNAI1
SCHEMBL20685658 0.79 MMP2 (0.44) MMP2ALDH1A1GNAI3GNAO1GNAI1
SCHEMBL20685656 0.79 MMP2 (0.42) MMP2KMT2AGNAI3GNAO1GNAI1
SCHEMBL22162694 0.79 MMP2 (0.42) MMP2KMT2AGNAI3GNAO1GNAI1
SCHEMBL20685654 0.79 MMP2 (0.42) MMP2KMT2AGNAI3GNAO1GNAI1
SCHEMBL20615612 0.78 PAOX (0.48) MMP2GNAI3GNAO1GNAI1DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 US disclosed
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 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 (5 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 TP53 4304/4885SMN1; SMN2 4875/4885MMP2 820/4885
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 TP53 4026/4885SMN1; SMN2 4637/4885MMP2 147/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 TP53 4304/4885SMN1; SMN2 4875/4885MMP2 820/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 TP53 3573/4885SMN1; SMN2 4885/4885MMP2 845/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 TP53 3744/4885SMN1; SMN2 4260/4885MMP2 179/4885

“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.