SCHEMBL528428

SCHEMBL528428

O=Cc1c2[nH]c3ccccc3c2c(C=O)c2[nH]c3ccccc3c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
MAPT P10636 3/20 0.70
KMT2A Q03164 3/20 0.70
AHR P35869 3/20 0.70
CHEK1 O14757 2/20 0.52
PRKCA P17252 3/20 0.50
CDK4 P11802 2/20 0.50
CCND1 P24385 2/20 0.50
CDK5 Q00535 2/20 0.50
CDK5R1 Q15078 2/20 0.50
PRKD3 O94806 1/20 0.50
CCNB2 O95067 1/20 0.50
CCNE2 O96020 1/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
PRKACA P17612 1/20 0.50
CCNA2 P20248 1/20 0.50
PRKACG P22612 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
SCHEMBL24115417 0.86 MEN1 (0.55) MEN1MAPTKMT2AAHRCHEK1
SCHEMBL21203060 0.84 MEN1 (0.56) MEN1MAPTKMT2AAHRCHEK1
SCHEMBL29440653 0.83 AHR (1.00) MEN1MAPTKMT2AAHRCHEK1
SCHEMBL528520 0.83 AHR (1.00) MEN1MAPTKMT2AAHRCHEK1
SCHEMBL4733891 0.79 MEN1 (0.55) MEN1MAPTKMT2AAHRCHEK1
SCHEMBL14519076 0.77 GSK3B (0.53) MEN1MAPTKMT2AAHRGSK3B
SCHEMBL22779895 0.77 AHR (0.49) MEN1MAPTKMT2AAHRCHEK1
SCHEMBL20865251 0.76 EGFR (0.51) MEN1MAPTKMT2AAHRPRKCA
SCHEMBL12766730 0.76 MAPT (0.51) MEN1MAPTKMT2AAHRCHEK1
SCHEMBL12219428 0.75 CHEK1 (0.65) MEN1MAPTKMT2AAHRCHEK1

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
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-3265816-B1 DETECTION METHOD AND KIT EUROPEAN UNION REPRESENTED BY THE EUROPEAN COMMISSION (BE) 2018-11-28 EP 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 (5 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 MEN1 4766/4885MAPT 4764/4885KMT2A 1395/4885
US-20130281525-A1 ARYL HYDROCARBON RECEPTOR (AhR) MODIFIERS AS NOVEL CANCER THERAPEUTICS AHR, ARNT, AIPL1 MEN1 4766/4885MAPT 4764/4885KMT2A 1395/4885
US-20160175278-A1 ARYL HYDROCARBON RECEPTOR (AhR) MODIFIERS AS NOVEL CANCER THERAPEUTICS AHR, ARNT, AIPL1 MEN1 4766/4885MAPT 4764/4885KMT2A 1395/4885
US-20190225683-A1 TARGETING OXAZOLE STRUCTURES FOR THERAPY AGAINST INFLAMMATORY DISEASES RORC, OXA1L, CX3CR1 MEN1 4877/4885MAPT 1568/4885KMT2A 4426/4885
US-10314810-B2 Aryl hydrocarbon receptor (AhR) modifiers as novel cancer therapeutics AHR, ARNT, AIPL1 MEN1 4766/4885MAPT 4764/4885KMT2A 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.