SCHEMBL6561059

SCHEMBL6561059

CN(C)CCNC(=N)c1cc(C(=O)O)c2c3ccc4c5c(ccc(c6ccc(C(=O)NCCN(C)C)c1c62)c53)C(=O)NC4=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ POLR1A O95602 3/20 0.37
▸ WEE1 P30291 1/20 0.37
▸ RAD52 P43351 3/20 0.36
▸ ECE1 P42892 1/20 0.35
▸ MUS81 Q96NY9 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CHEK1 O14757 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ AOX1 Q06278 1/20 0.35
▸ UHRF1 Q96T88 1/20 0.35
▸ MOK Q9UQ07 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
SCHEMBL5185602 0.90 CASP3 (0.35) HTTCHEK1ALDH1A1KDM4EHSD17B10
SCHEMBL1095842 0.86 ALOX5 (0.39) HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2524404 0.86 ALOX5 (0.39) HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9511404 0.86 KDM4E (0.38) HTTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL5187338 0.85 ALDH1A1 (0.41) SMN1; SMN2CHEK1ALDH1A1KDM4E
SCHEMBL5577030 0.83 HTT (0.36) HTTSMN1; SMN2HSD17B10
SCHEMBL5576815 0.83 TP53 (0.40) SMN1; SMN2KDM4E
SCHEMBL2683123 0.81 CHEK1 (0.31) CHEK1
SCHEMBL10341193 0.81 CHEK1 (0.47) CHEK1ALDH1A1KDM4EHSD17B10
SCHEMBL5575192 0.79 HTT (0.47) HTTCHEK1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229894-A1 Inhibition of human teomerase by a G-quadruplex-interaction compound NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-11-18 — — US claimed
US-20030040525-A1 Inhibition of human telomerase by a G-quadruplex-interaction compound BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-02-27 — — US claimed
US-20020107258-A1 Inhibition of human telomerase by a G-quadruplex-interaction compound BOARD OF REGENTS, THE UNIVERSTY OF TEXAS SYSTEM 2002-08-08 — — US claimed
US-6156763-A Inhibition of human telomerase by a g-quadruplex-interaction compound BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-12-05 — — US claimed
EP-1053237-A2 INHIBITION OF HUMAN TELOMERASE BY A G-QUADRUPLEX-INTERACTION COMPOUND THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-11-22 — — EP claimed
WO-1999040087-A2 INHIBITION OF HUMAN TELOMERASE BY A G-QUADRUPLEX-INTERACTION COMPOUND THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-08-12 — — WO claimed
US-20040229894-A1 Inhibition of human teomerase by a G-quadruplex-interaction compound NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-11-18 — — US disclosed
US-6689887-B2 PERYLENETETRACARBOXYLIC ACID DIIMIDES AND CARBOCYANINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-02-10 — — US disclosed
US-6623930-B2 Contacting cell with non-nucleoside compounds that interact with specific DNA structures and which inhibit human telomerase reducing proliferative capacity of a cell BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-09-23 — — US disclosed
EP-1053237-B1 INHIBITION OF HUMAN TELOMERASE BY A G-QUADRUPLEX-INTERACTION COMPOUND UNIV TEXAS (US) 2003-07-02 — — EP disclosed
US-6528517-B1 Solid phase synthesis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-03-04 — — US disclosed
US-20030040525-A1 Inhibition of human telomerase by a G-quadruplex-interaction compound BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-02-27 — — US disclosed
US-20020107258-A1 Inhibition of human telomerase by a G-quadruplex-interaction compound BOARD OF REGENTS, THE UNIVERSTY OF TEXAS SYSTEM 2002-08-08 — — US disclosed
US-6156763-A Inhibition of human telomerase by a g-quadruplex-interaction compound BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-12-05 — — US disclosed
EP-1053237-A2 INHIBITION OF HUMAN TELOMERASE BY A G-QUADRUPLEX-INTERACTION COMPOUND THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-11-22 — — EP disclosed
WO-1999040087-A2 INHIBITION OF HUMAN TELOMERASE BY A G-QUADRUPLEX-INTERACTION COMPOUND THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-08-12 — — WO disclosed
WO-1999040093-A2 SYNTHESIS OF QUINOBENZOXAZINE ANALOGUES WITH TOPOISOMERASE II AND QUADRUPLEX INTERACTIONS FOR USE AS ANTINEOPLASTIC AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-08-12 — — 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 (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-20030040525-A1 Inhibition of human telomerase by a G-quadruplex-interaction compound POT1, TERT, TERF2IP HTT 93/4885SMN1; SMN2 1414/4885JAK2 3317/4885
US-20020107258-A1 Inhibition of human telomerase by a G-quadruplex-interaction compound POT1, TERT, TERF2IP HTT 93/4885SMN1; SMN2 1414/4885JAK2 3317/4885
US-20040229894-A1 Inhibition of human teomerase by a G-quadruplex-interaction compound TERT, POT1, DTYMK HTT 1618/4885SMN1; SMN2 2292/4885JAK2 3926/4885

“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.

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