SCHEMBL617157

SCHEMBL617157

NC(=S)Nc1cccc2nc3ccccc3cc12.[Pt]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.65
GAA P10253 5/20 0.65
KDM4E B2RXH2 4/20 0.65
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
MAPT P10636 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
GLA P06280 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
PTBP1 P26599 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL625847 0.98 ALDH1A1 (0.67) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL5592991 0.77 KMT2A (0.59) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL27791326 0.77 KMT2A (0.55) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL29522175 0.77 KDM4E (0.71) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL260429 0.77 KDM4E (0.71) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL9415823 0.77 KDM4E (0.58) ALDH1A1GAAKDM4EKMT2AMEN1
Hydrazine SCHEMBL28848708 0.75 KDM4E (0.69) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL27567335 0.75 KDM4E (0.69) ALDH1A1GAAKDM4EKMT2AMEN1
Hydrogen Sulfide SCHEMBL27456819 0.75 KDM4E (0.69) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL23143652 0.75 KDM4E (0.45) ALDH1A1GAAKDM4EKMT2AMEN1

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 7 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-8906896-B2 Platinum acridine anti-cancer compounds and methods thereof WAKE FOREST UNIVERSITY 2014-12-09 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
US-20120039800-A1 Platinum Acridine Anti-Cancer Compounds And Methods Thereof WAKE FOREST UNIVERSITY 2012-02-16 US disclosed
EP-2358203-A1 PLATINUM ACRIDINE ANTI-CANCER COMPOUNDS AND METHODS THEREOF Wake Forest University (US) 2011-08-24 EP disclosed
WO-2010048499-A1 PLATINUM ACRIDINE ANTI-CANCER COMPOUNDS AND METHODS THEREOF WAKE FOREST UNIVERSITY (US) 2010-04-29 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-20120039800-A1 Platinum Acridine Anti-Cancer Compounds And Methods Thereof ACR, TP53, BAD ALDH1A1 360/4885GAA 1830/4885KDM4E 3597/4885
US-20140193334-A1 Targeted Delivery and Prodrug Designs for Platinum-Acridine Anti-Cancer Compounds and Methods Thereof ERBB3, EGFR, ESR1 ALDH1A1 2873/4885GAA 2626/4885KDM4E 2722/4885

“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.