SCHEMBL20602017

SCHEMBL20602017

NCCNC(=O)C1Cc2c([nH]c3ccc(Br)cc23)C(N)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.47
KIF11 P52732 2/20 0.43
CYP2D6 P10635 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
DHODH Q02127 1/20 0.36
SLC2A1 P11166 2/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
MAPKAPK2 P49137 1/20 0.34

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
SCHEMBL20615568 0.91 SIRT1 (0.47) SIRT1KIF11CYP2D6MTNR1AMTNR1B
SCHEMBL20615464 0.83 SIRT1 (0.62) SIRT1KIF11CYP2D6DHODHALDH1A1
Hydrochloric Acid SCHEMBL20601993 0.82 SIRT1 (0.61) SIRT1KIF11CYP2D6DHODHALDH1A1
SCHEMBL20602311 0.82 SIRT1 (0.55) SIRT1KIF11CYP2D6DHODHALDH1A1
Hydrochloric Acid SCHEMBL20601991 0.81 SIRT1 (0.60) SIRT1KIF11CYP2D6DHODHALDH1A1
SCHEMBL20602381 0.79 SIRT1 (0.52) SIRT1KIF11CYP2D6DHODHALDH1A1
SCHEMBL20602353 0.78 SIRT1 (0.48) SIRT1KIF11MEN1KMT2AKDM4E
SCHEMBL20602009 0.74 SIRT1 (0.44) SIRT1KIF11CYP2D6DHODHALDH1A1
SCHEMBL20615571 0.72 DHODH (0.42) SIRT1KIF11CYP2D6DHODHALDH1A1
SCHEMBL20615446 0.71 CYP2D6 (0.41) SIRT1KIF11CYP2D6DHODHALDH1A1

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-11458121-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-10-04 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-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 (2 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 SIRT1 1682/4885KIF11 3437/4885CYP2D6 1059/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 SIRT1 1682/4885KIF11 3437/4885CYP2D6 1059/4885

“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.