SCHEMBL528426

SCHEMBL528426

O=Cc1c2c(c(C=O)c3c1=c1ccccc1=N3)=c1ccccc1=N2

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
ERN1 O75460 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL528518 0.81
SCHEMBL554571 0.68
SCHEMBL191345 0.66 ALDH1A1 (0.30) MEN1KMT2AALDH1A1LMNA
SCHEMBL10628287 0.65 TGM2 (0.41) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL547912 0.64 MEN1 (0.39) PADI4MEN1KMT2ATDP1ALDH1A1
SCHEMBL9959990 0.64
SCHEMBL2914843 0.64 TGM2 (0.30)
SCHEMBL9376833 0.62
SCHEMBL6278365 0.60 MAPT (0.35) MEN1KMT2AALDH1A1LMNA
SCHEMBL4515373 0.60 ALDH1A1 (0.32) MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022094174-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ESOPHAGEAL CONDITIONS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-05-05 WO claimed
US-20220275331-A1 SELECTIVE EXPANSION OF DIFFERENT SUBPOPULATIONS OF T CELLS BY THE ALTERATION OF CELL SURFACING SIGNALS AND SIGNAL RATIO LIFE TECHNOLOGIES AS (NO) 2022-09-01 US disclosed
US-20210220481-A1 BIOCOMPATIBLE TOLEROGENIC NANOPARTICLES UNIVERSITÉ PARIS CITÉ (FR) 2021-07-22 US disclosed
EP-2598138-B1 ARYL HYDROCARBON RECEPTOR (AHR) MODIFIERS AS NOVEL CANCER THERAPEUTICS UNIV BOSTON (US) 2020-05-06 EP disclosed
US-20190225683-A1 TARGETING OXAZOLE STRUCTURES FOR THERAPY AGAINST INFLAMMATORY DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2019-07-25 US disclosed
US-10314810-B2 Aryl hydrocarbon receptor (AhR) modifiers as novel cancer therapeutics TRUSTEES OF BOSTON UNIVERSITY (US) 2019-06-11 US disclosed
US-10258600-B2 Aryl hydrocarbon receptor (AhR) modifiers as novel cancer therapeutics TRUSTEES OF BOSTON UNIVERSITY (US) 2019-04-16 US disclosed
EP-3368659-A1 SELECTIVE EXPANSION OF DIFFERENT SUBPOPULATIONS OF T CELLS BY THE ALTERATION OF CELL SURFACING SIGNALS AND SIGNAL RATIO Life Technologies AS (NO) 2018-09-05 EP disclosed
WO-2017083809-A1 TARGETING OXAZOLE STRUCTURES FOR THERAPY AGAINST INFLAMMATORY DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-05-18 WO disclosed
WO-2017072251-A1 SELECTIVE EXPANSION OF DIFFERENT SUBPOPULATIONS OF T CELLS BY THE ALTERATION OF CELL SURFACING SIGNALS AND SIGNAL RATIO LIFE TECHNOLOGIES AS (NO) 2017-05-04 WO disclosed
US-20160175278-A1 ARYL HYDROCARBON RECEPTOR (AhR) MODIFIERS AS NOVEL CANCER THERAPEUTICS TRUSTEES OF BOSTON UNIVERSITY (US) 2016-06-23 US disclosed
US-20130281525-A1 ARYL HYDROCARBON RECEPTOR (AhR) MODIFIERS AS NOVEL CANCER THERAPEUTICS TRUSTEES OF BOSTON UNIVERSITY (US) 2013-10-24 US disclosed
EP-2598138-A2 ARYL HYDROCARBON RECEPTOR (AHR) MODIFIERS AS NOVEL CANCER THERAPEUTICS Trustees of Boston University (US) 2013-06-05 EP disclosed
WO-2012015914-A2 ARYL HYDROCARBON RECEPTOR (AHR) MODIFIERS AS NOVEL CANCER THERAPEUTICS TRUSTEES OF BOSTON UNIVERSITY (US) 2012-02-02 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 (6 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-10258600-B2 Aryl hydrocarbon receptor (AhR) modifiers as novel cancer therapeutics AHR, ARNT, AIPL1 PADI4 3488/4885MEN1 4766/4885KMT2A 1395/4885
US-20130281525-A1 ARYL HYDROCARBON RECEPTOR (AhR) MODIFIERS AS NOVEL CANCER THERAPEUTICS AHR, ARNT, AIPL1 PADI4 3488/4885MEN1 4766/4885KMT2A 1395/4885
US-20210220481-A1 BIOCOMPATIBLE TOLEROGENIC NANOPARTICLES IAPP, AHR, ARNT PADI4 3554/4885MEN1 2413/4885KMT2A 3166/4885
US-20160175278-A1 ARYL HYDROCARBON RECEPTOR (AhR) MODIFIERS AS NOVEL CANCER THERAPEUTICS AHR, ARNT, AIPL1 PADI4 3488/4885MEN1 4766/4885KMT2A 1395/4885
US-20190225683-A1 TARGETING OXAZOLE STRUCTURES FOR THERAPY AGAINST INFLAMMATORY DISEASES RORC, OXA1L, CX3CR1 PADI4 2155/4885MEN1 4877/4885KMT2A 4426/4885
US-10314810-B2 Aryl hydrocarbon receptor (AhR) modifiers as novel cancer therapeutics AHR, ARNT, AIPL1 PADI4 3488/4885MEN1 4766/4885KMT2A 1395/4885

“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.