Sugi Predict

Sugi Predict / Compounds / SCHEMBL3312846

SCHEMBL3312846

SCHEMBL3312846

O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccc(CNC2CCCc3cccnc32)cc1)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ CXCR4 P61073 7/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ CXCR3 P49682 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL3314317 0.98 HDAC6 (0.46) HDAC6HDAC1CXCR4KDM4EALDH1A1
SCHEMBL3313097 0.93 HDAC6 (0.42) HDAC6HDAC1CXCR4KDM4EALDH1A1
SCHEMBL3314915 0.92 HDAC6 (0.42) HDAC6HDAC1CXCR4KDM4EALDH1A1
SCHEMBL5576505 0.89 PTPN1 (0.38) HDAC6HDAC1CXCR4KDM4EALDH1A1
SCHEMBL30338365 0.87 HDAC6 (0.51) HDAC6HDAC1CXCR4KCNA5CXCR3
SCHEMBL4069997 0.86 PDE4A (0.42) HDAC6ALDH1A1KCNA5CXCR3PTPN1
SCHEMBL3314059 0.84 CXCR4 (0.56) CXCR4CYP3A4CYP2D6
SCHEMBL3311009 0.83 KCNA5 (0.40) HDAC6KCNA5CXCR3PTPN1MAPT
SCHEMBL7846052 0.81 CXCR4 (0.56) CXCR4CYP3A4CYP2D6
SCHEMBL4069825 0.80 CXCR3 (0.41) HDAC6KCNA5CXCR3PTPN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2010-04-29 — — US disclosed
US-7629337-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2009-12-08 — — US disclosed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 — — EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 — — US disclosed
US-7183273-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2007-02-27 — — US disclosed
US-20060264434-A1 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2006-11-23 — — US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 — — US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 — — US disclosed
EP-1163238-B1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-05-31 — — EP disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 — — US disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 — — US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 — — US disclosed
US-6750348-B1 PROTECTIVE EFFECTS AGAINST INFECTION BY HIV THROUGH BINDING TO CHEMOKINE RECEPTORS, INCLUDING CXCR4 AND CCR5;N-(2-PYRIDINYLMETHYL)-N'-(2-(PHENYLUREIDO)ETHYL)-N'-(5,6,7,8-TETRAHYDRO-8-QUINOLINYL)-1,4-BENZENEDIMETHANAMINE ANORMED, INC. (CA) 2004-06-15 — — US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 — — EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 — — US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 — — WO disclosed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 — — EP disclosed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 — — 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-20060264434-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 HDAC6 1137/4885HDAC1 950/4885CXCR4 2/4885
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CXCR4, CCR5, CXCR3 HDAC6 1168/4885HDAC1 836/4885CXCR4 1/4885
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 HDAC6 805/4885HDAC1 1111/4885CXCR4 7/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 HDAC6 828/4885HDAC1 845/4885CXCR4 1/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 HDAC6 805/4885HDAC1 1111/4885CXCR4 7/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 HDAC6 1089/4885HDAC1 1116/4885CXCR4 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.