Sugi Predict

Sugi Predict / Compounds / SCHEMBL4061273

SCHEMBL4061273

SCHEMBL4061273

O=C(NCc1ccc(CN(C2CCc3cccnc3C2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)c1c(Cl)cncc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ HTT P42858 3/20 0.36
▸ NPY5R Q15761 2/20 0.35
▸ THRB P10828 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL4062126 0.84 MAPT (0.39) NPY5RDRD2ADRA2CNPY1RMAPT
SCHEMBL4063313 0.81 MEN1 (0.41) NPY5RDRD2ADRA2CNPY1RMAPT
SCHEMBL14207346 0.79 GRIN1 (0.39) LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL4072412 0.74 CXCR4 (0.47) DRD2CYP2D6
SCHEMBL4066205 0.74 HDAC1 (0.40) HTTLMNASMN1; SMN2POLBTSHR
SCHEMBL3311009 0.70 KCNA5 (0.40) NPY5RDRD2ADRA2CNPY1RMAPT
SCHEMBL4062755 0.69 CXCR4 (0.45) HTTALDH1A1CYP2D6MEN1KMT2A
SCHEMBL4062747 0.65 SMN1; SMN2 (0.44) MAPTLMNASMN1; SMN2GAAPOLB
SCHEMBL4063134 0.64 CXCR4 (0.41) CYP2D6
SCHEMBL4060580 0.64 HDAC1 (0.64) HTTLMNAALDH1A1TSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 — — US disclosed
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2005-02-03 — — US disclosed
US-6835731-B2 Viricides; antiinflammatory agents; antiallergens; antiarthritic agents ANORMED, INC. (CA) 2004-12-28 — — US disclosed
EP-1317443-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 — — EP disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 — — US disclosed
WO-2002022599-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 — — 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 (3 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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 ITGB1 707/4885ITGA4 809/4885HTT 4567/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 ITGB1 707/4885ITGA4 809/4885HTT 4567/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 ITGB1 707/4885ITGA4 809/4885HTT 4567/4885

“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.