SCHEMBL529009

SCHEMBL529009

O=C(O)CC(O)c1cccc2[nH]c(CCc3ccccc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
HDAC6 Q9UBN7 2/20 0.42
CHRM1 P11229 1/20 0.42
RNASEH1 O60930 1/20 0.41
HTR6 P50406 1/20 0.40
GAA P10253 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 2/20 0.39
DAO P14920 1/20 0.39
NTRK1 P04629 2/20 0.38
NTRK2 Q16620 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL6952443 0.88 BRD4 (0.46) RAB9ANPC1HDAC6RNASEH1GAA
Maleic Acid SCHEMBL6948865 0.86 RAB9A (0.41) RAB9ANPC1HDAC6CHRM1RNASEH1
SCHEMBL7656006 0.86 KDM4E (0.42) RAB9ANPC1HDAC6RNASEH1GAA
SCHEMBL29828622 0.86 CHEK1 (0.48) RAB9ANPC1HDAC6HTR6BRD4
SCHEMBL6945277 0.86 CHEK1 (0.48) RAB9ANPC1HDAC6HTR6BRD4
SCHEMBL6943101 0.85 RAB9A (0.50) RAB9ANPC1HDAC6CHRM1RNASEH1
SCHEMBL7649489 0.85 NPC1 (0.41) RAB9ANPC1HDAC6RNASEH1HTR6
SCHEMBL6953878 0.84 RAB9A (0.49) RAB9ANPC1HDAC6RNASEH1HTR6
SCHEMBL7650912 0.84 NPC1 (0.40) RAB9ANPC1HDAC6RNASEH1GAA
SCHEMBL7653156 0.84 ALDH1A1 (0.42) RAB9ANPC1HDAC6RNASEH1GAA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210060158-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2021-03-04 US claimed
EP-3684410-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY Institut Curie (FR) 2020-07-29 EP claimed
WO-2019057744-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY INSTITUT CURIE (FR) 2019-03-28 WO claimed
US-20250236840-A1 SELECTIVE EXPANSION OF DIFFERENT SUBPOPULATIONS OF T CELLS BY THE ALTERATION OF CELL SURFACING SIGNALS AND SIGNAL RATIO LIFE TECHNOLOGIES AS (NO) 2025-07-24 US disclosed
US-20230152314-A1 LIPOCALIN-2 ASSAY FOR INTESTINAL ADAPTATION THE JOHNS HOPKINS UNIVERSITY 2023-05-18 US disclosed
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-20210060158-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2021-03-04 US disclosed
EP-3684410-A1 AGONIST OF ARYL HYDROCARBON RECEPTOR FOR USE IN CANCER COMBINATION THERAPY Institut Curie (FR) 2020-07-29 EP 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
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
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
WO-2001058877-A1 INTERFERON Ω PRODUCTION POTENTIATORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-08-16 WO disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP 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 (4 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-20130281525-A1 ARYL HYDROCARBON RECEPTOR (AhR) MODIFIERS AS NOVEL CANCER THERAPEUTICS AHR, ARNT, AIPL1 RAB9A 3842/4885NPC1 1683/4885HDAC6 1238/4885
US-20160175278-A1 ARYL HYDROCARBON RECEPTOR (AhR) MODIFIERS AS NOVEL CANCER THERAPEUTICS AHR, ARNT, AIPL1 RAB9A 3842/4885NPC1 1683/4885HDAC6 1238/4885
US-20190225683-A1 TARGETING OXAZOLE STRUCTURES FOR THERAPY AGAINST INFLAMMATORY DISEASES RORC, OXA1L, CX3CR1 RAB9A 3183/4885NPC1 2300/4885HDAC6 141/4885
US-10314810-B2 Aryl hydrocarbon receptor (AhR) modifiers as novel cancer therapeutics AHR, ARNT, AIPL1 RAB9A 3842/4885NPC1 1683/4885HDAC6 1238/4885

“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.