SCHEMBL6744627

SCHEMBL6744627

N=C(N)NN=C1CCC(=NNC(=N)N)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.33
KMT2A Q03164 3/20 0.32
GAA P10253 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31

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
Hydrochloric Acid SCHEMBL5974602 0.97 KDM4E (0.32) KDM4EKMT2AGAATDP1MEN1
SCHEMBL17975271 0.89 MEN1 (0.32) KDM4EKMT2AMEN1LMNANPSR1
Hydrochloric Acid SCHEMBL8434379 0.86 KMT2A (0.44) KDM4EKMT2AGAATDP1MEN1
SCHEMBL7339174 0.75 KDM4E (0.31) KDM4E
SCHEMBL11630899 0.68
SCHEMBL11681383 0.66 KDM4E (0.35) KDM4EKMT2AGAATDP1MEN1
SCHEMBL4100479 0.65 KMT2A (0.52) KDM4EKMT2AGAATDP1MEN1
SCHEMBL941085 0.64 KMT2A (0.55) KDM4EKMT2AGAAMEN1LMNA
SCHEMBL9356896 0.64 KDM4E (0.52) KDM4EKMT2AGAATDP1MEN1
SCHEMBL14567641 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 US claimed
US-20160374997-A1 ANTIBIOTIC COMPOUNDS THAT INHIBIT BACTERIAL PROTEIN SYNTHESIS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-12-29 US disclosed
US-20160220510-A1 ANTIBIOTIC COMPOUNDS THAT INHIBIT BACTERIAL PROTEIN SYNTHESIS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-08-04 US disclosed
US-20160220510-A1 ANTIBIOTIC COMPOUNDS THAT INHIBIT BACTERIAL PROTEIN SYNTHESIS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-08-04 US disclosed
US-6689777-B2 DEPOLYMERIZING HEMOZOIN USING 2-IMINO-NAPHTHO(1,2-D)THIAZOL-5-OL DERIVATIVES KENNETH S. WARREN INSTITUTE 2004-02-10 US disclosed
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 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-20160374997-A1 ANTIBIOTIC COMPOUNDS THAT INHIBIT BACTERIAL PROTEIN SYNTHESIS AARS1, EPRS1, EEF1G KDM4E 1642/4885KMT2A 2096/4885GAA 836/4885
US-20030186993-A1 Anti-malarial compounds, compositions and methods TYR, CRYZ, RHOT2 KDM4E 1240/4885KMT2A 2497/4885GAA 260/4885
US-20160220510-A1 ANTIBIOTIC COMPOUNDS THAT INHIBIT BACTERIAL PROTEIN SYNTHESIS AARS1, EPRS1, EEF1G KDM4E 1642/4885KMT2A 2096/4885GAA 836/4885

“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.