SCHEMBL4068853

SCHEMBL4068853

O=C(Nc1ccccc1)c1cccc(CCl)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
KCNK3 O14649 2/20 0.59
KCNK9 Q9NPC2 2/20 0.59
KDM4E B2RXH2 2/20 0.58
KMT2A Q03164 4/20 0.57
SIRT1 Q96EB6 2/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.55
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
NR1H4 Q96RI1 1/20 0.54

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
SCHEMBL29712456 1.00 HDAC8 (0.61) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL18397777 0.84 HDAC8 (0.61) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL6846433 0.84 FOLH1 (0.62) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL12228481 0.84 HDAC1 (0.61) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL19964495 0.84 LOXL2 (0.62) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL30802680 0.83 KCNK3 (0.68) KCNK3KCNK9KDM4EKMT2ANPC1
SCHEMBL29200419 0.83 KCNK3 (0.68) KCNK3KCNK9KDM4EKMT2ANPC1
SCHEMBL2896309 0.83 RAB9A (0.65) KMT2ANPC1RAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL19953267 0.83 LOXL2 (0.62) HDAC8HDAC6HDAC1HDAC2KCNK3
SCHEMBL29994466 0.83 HDAC8 (0.59) HDAC8HDAC6HDAC1HDAC2KCNK3

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-20230002397-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-01-05 US disclosed
US-20230002397-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-01-05 US disclosed
EP-4051386-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2022-09-07 EP disclosed
CN-114650868-A Small molecule degradation agent of HELIOS and use method thereof 达纳-法伯癌症研究公司 2022-06-21 CN disclosed
WO-2021087093-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-05-06 WO disclosed
EP-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 EP disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
US-6835731-B2 Viricides; antiinflammatory agents; antiallergens; antiarthritic agents ANORMED, INC. (CA) 2004-12-28 US disclosed
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
CN-1458929-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-26 CN disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1317443-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 US disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2002022599-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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-20230002397-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METODS OF USE IKZF2, IKZF1, HELZ HDAC8 282/4885HDAC6 333/4885HDAC1 561/4885
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 HDAC8 1707/4885HDAC6 1162/4885HDAC1 1482/4885
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA HDAC8 1160/4885HDAC6 960/4885HDAC1 828/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA HDAC8 1160/4885HDAC6 960/4885HDAC1 828/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 HDAC8 1707/4885HDAC6 1162/4885HDAC1 1482/4885

“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.