SCHEMBL14740712

SCHEMBL14740712

CC(NCCNc1c2ccccc2nc2ccccc12)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.56
RAD52 P43351 4/20 0.56
RAB9A P51151 3/20 0.56
KDM4E B2RXH2 3/20 0.56
GLA P06280 3/20 0.56
GAA P10253 2/20 0.56
MITF O75030 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TTR P02766 1/20 0.56
TOP2A P11388 4/20 0.54
SLC2A1 P11166 7/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
CACNA2D1 P54289 2/20 0.47
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.45
BCHE P06276 1/20 0.44

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
SCHEMBL7880366 0.79 POLB (0.78) POLBRAD52RAB9AKDM4EGLA
SCHEMBL6518868 0.79 KDM4E (0.49) POLBRAD52RAB9AKDM4EGLA
SCHEMBL6518865 0.79 KDM4E (0.49) POLBRAD52RAB9AKDM4EGLA
SCHEMBL3359450 0.79 KDM4E (0.49) POLBRAD52RAB9AKDM4EGLA
Trifluoroacetic Acid SCHEMBL7874384 0.76 POLB (0.63) POLBRAD52RAB9AKDM4EGLA
SCHEMBL3360006 0.75 POLB (0.67) POLBRAD52RAB9AKDM4EGLA
SCHEMBL30253677 0.75 POLB (0.66) POLBRAD52RAB9AKDM4EGLA
SCHEMBL617240 0.75 POLB (0.66) POLBRAD52RAB9AKDM4EGLA
SCHEMBL14740610 0.75 POLB (0.61) POLBRAD52RAB9AKDM4EGLA
SCHEMBL15867898 0.74 POLB (0.59) POLBRAD52RAB9AKDM4EGLA

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-9090640-B2 Targeted delivery and prodrug designs for platinum-acridine anti-cancer compounds and methods thereof WAKE FOREST UNIVERSITY 2015-07-28 US disclosed
US-20140193334-A1 Targeted Delivery and Prodrug Designs for Platinum-Acridine Anti-Cancer Compounds and Methods Thereof WAKE FOREST UNIVERSITY 2014-07-10 US disclosed
WO-2013033430-A1 TARGETED DELIVERY AND PRODRUG DESIGNS FOR PLATINUM-ACRIDINE ANTI-CANCER COMPOUNDS AND METHODS THEREOF WAKE FOREST SCHOOL OF MEDICINE (US) 2013-03-07 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 (1 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-20140193334-A1 Targeted Delivery and Prodrug Designs for Platinum-Acridine Anti-Cancer Compounds and Methods Thereof ERBB3, EGFR, ESR1 POLB 4366/4885RAD52 2529/4885RAB9A 2919/4885

“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.