SCHEMBL6561072

SCHEMBL6561072

CN(C)CCNC(=O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)O)ccc(c5ccc(C(=O)NCCN(C)C)c1c25)c43

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1A2 P05177 2/20 0.47
RAD52 P43351 4/20 0.44
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
POLR1A O95602 1/20 0.43
UHRF1 Q96T88 1/20 0.42
CHEK1 O14757 1/20 0.42
MCHR1 Q99705 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MOK Q9UQ07 1/20 0.41

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
SCHEMBL30122880 0.92 HTT (0.51) HTTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL31004386 0.87 ALOX15 (0.51) HTTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL5185604 0.83 POLB (0.49) HTTCYP1A2MAPK1ALDH1A1KDM4E
SCHEMBL4812105 0.81 HTT (0.57) HTTSMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL30875593 0.81 HTT (0.57) HTTSMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL22102825 0.80 CYP1A2 (0.45) HTTCYP1A2MAPK1KDM4ECHEK1
SCHEMBL22283351 0.80 CYP1A2 (0.48) HTTCYP1A2MAPK1ALDH1A1KDM4E
SCHEMBL30875601 0.79 TSHR (0.51) HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL10892084 0.79 TSHR (0.51) HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL2671340 0.79 TSHR (0.51) HTTSMN1; SMN2ALDH1A1HPGD

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 1414/4885CYP1A2 4722/4885
US-20020107258-A1 Inhibition of human telomerase by a G-quadruplex-interaction compound POT1, TERT, TERF2IP HTT 93/4885SMN1; SMN2 1414/4885CYP1A2 4722/4885
US-20040229894-A1 Inhibition of human teomerase by a G-quadruplex-interaction compound TERT, POT1, DTYMK HTT 1618/4885SMN1; SMN2 2292/4885CYP1A2 3215/4885

“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.