SCHEMBL4562865

SCHEMBL4562865

c1ccc(CNC2CCCc3cccnc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
CXCR4 P61073 7/20 0.51
GRIN2B Q13224 3/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
GRIN1 Q05586 1/20 0.41

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
SCHEMBL4887341 1.00 HDAC1 (0.69) HDAC1HDAC6CXCR4GRIN2BKDM4E
SCHEMBL13909820 0.94 HDAC1 (0.76) HDAC1HDAC6CXCR4KDM4EALDH1A1
SCHEMBL21055028 0.88 HDAC1 (0.68) HDAC1HDAC6CXCR4KDM4EALDH1A1
SCHEMBL4065807 0.88 HDAC1 (0.68) HDAC1HDAC6CXCR4GRIN2BKDM4E
SCHEMBL5656928 0.88 HDAC1 (0.61) HDAC1HDAC6CXCR4KDM4EALDH1A1
SCHEMBL14025462 0.87 HDAC1 (0.60) HDAC1HDAC6CXCR4KDM4EALDH1A1
SCHEMBL4066161 0.86 HDAC1 (0.63) HDAC1HDAC6CXCR4KDM4EALDH1A1
SCHEMBL30379489 0.86 HDAC1 (0.61) HDAC1HDAC6CXCR4CYP2D6
Bromide SCHEMBL5140296 0.85 HDAC1 (0.62) HDAC1HDAC6CXCR4KDM4EALDH1A1
SCHEMBL29823139 0.85 HDAC1 (0.62) HDAC1HDAC6CXCR4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116462711-B Bidentate nitrogen-manganese complex, preparation method thereof, catalyst composition and application 河北农业大学 2025-04-08 CN disclosed
CN-116462711-A Bidentate nitrogen-manganese complex, preparation method thereof, catalyst composition and application 河北农业大学 2023-07-21 CN disclosed
US-20100178271-A1 Combination Therapy GENZYME CORPORATION (US) 2010-07-15 US disclosed
US-20100178271-A1 Combination Therapy GENZYME CORPORATION (US) 2010-07-15 US disclosed
US-20100003224-A1 Combination Therapy GENZYME CORPORATION (US) 2010-01-07 US disclosed
US-20100003224-A1 Combination Therapy GENZYME CORPORATION (US) 2010-01-07 US disclosed
EP-1784185-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-03 EP disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 US disclosed
WO-2008019371-A1 COMBINATION THERAPY GENZYME CORPORATION (US) 2008-02-14 WO disclosed
WO-2008017025-A2 COMBINATION THERAPY GENZYME CORPORATION (US) 2008-02-07 WO disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 US disclosed
EP-1784185-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-05-16 EP disclosed
WO-2007022523-A2 METHODS TO ENHANCE CHEMOTHERAPY GENZYME CORPORATION (US) 2007-02-22 WO disclosed
US-20070043012-A1 Methods to enhance chemotherapy GENZYME CORPORATION 2007-02-22 US disclosed
US-20070043012-A1 Methods to enhance chemotherapy GENZYME CORPORATION 2007-02-22 US disclosed
WO-2006028896-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed
WO-2006020891-A2 CHEMOKINE COMBINATIONS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2006-02-23 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 (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-20070043012-A1 Methods to enhance chemotherapy CXCR4, MCL1, CXCL12 HDAC1 1036/4885HDAC6 1262/4885CXCR4 1/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 HDAC1 1482/4885HDAC6 1162/4885CXCR4 9/4885
US-20100178271-A1 Combination Therapy CXCL12, CSF3R, CXCR4 HDAC1 1868/4885HDAC6 1232/4885CXCR4 3/4885
US-20100003224-A1 Combination Therapy CXCL12, CXCR4, SDF4 HDAC1 1195/4885HDAC6 926/4885CXCR4 2/4885

“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.