SCHEMBL22005704

SCHEMBL22005704

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP2 P08253 4/20 0.40
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
DPP7 Q9UHL4 2/20 0.38
RRM1 P23921 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
GSR P00390 1/20 0.34
PAOX Q6QHF9 1/20 0.33
GRIA1 P42261 1/20 0.33
TLR2 O60603 1/20 0.33
ENPEP Q07075 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
SCHEMBL23168318 1.00 MEN1 (0.42) MEN1KMT2AMMP2GNAI3GNAO1
SCHEMBL23166855 0.89 MMP2 (0.40) MEN1KMT2AMMP2GNAI3GNAO1
SCHEMBL20685658 0.86 MMP2 (0.44) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL21973384 0.82 TP53 (0.39) KMT2AMMP2GNAI3GNAO1GNAI1
SCHEMBL15461669 0.82 MEN1 (0.48) MEN1KMT2AMMP2DPP7
SCHEMBL9247182 0.81 MEN1 (0.42) MEN1KMT2AMMP2GNAI3GNAO1
SCHEMBL21973389 0.81 PAOX (0.48) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL20615612 0.81 PAOX (0.48) MMP2GNAI3GNAO1GNAI1DPP7
SCHEMBL10966460 0.81 MEN1 (0.40) MEN1KMT2AMMP2DPP7RRM1
SCHEMBL20685656 0.78 MMP2 (0.42) KMT2AMMP2GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 MEN1 4183/4885KMT2A 4740/4885MMP2 147/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 MEN1 4275/4885KMT2A 4541/4885MMP2 845/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 MEN1 3973/4885KMT2A 4605/4885MMP2 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.