SCHEMBL13204802

SCHEMBL13204802

O=C(CBr)c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
PTPN1 P18031 2/20 0.58
GSK3B P49841 2/20 0.58
FFAR1 O14842 4/20 0.55
FFAR4 Q5NUL3 2/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
HTT P42858 1/20 0.51
HIF1A Q16665 3/20 0.50
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48

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
SCHEMBL9696433 0.83 CA1 (0.67) CA1CA2FFAR1FFAR4HDAC3
SCHEMBL2742815 0.82 CA1 (0.70) CA1CA2FFAR1FFAR4HDAC3
SCHEMBL1446643 0.82 CA1 (0.70) CA1CA2FFAR1FFAR4HDAC3
SCHEMBL11881329 0.81 CA1 (0.68) CA1CA2FFAR1FFAR4HDAC3
SCHEMBL5604560 0.79 CA1 (0.71) CA1CA2FFAR1FFAR4HDAC3
SCHEMBL20132433 0.78 HDAC1 (0.71) CA1CA2FFAR1FFAR4HDAC3
SCHEMBL28778912 0.78 CA1 (0.64) CA1CA2FFAR1FFAR4HDAC3
SCHEMBL1924100 0.78 HTT (0.78) CA1CA2PTPN1FFAR1FFAR4
SCHEMBL2531747 0.77 GSK3B (0.69) PTPN1GSK3B
SCHEMBL18415526 0.77 CA1 (1.00) CA1CA2FFAR1FFAR4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772260-B2 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS INC. (CA) 2010-08-10 US disclosed
US-7741349-B2 Imidazo[2, 1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS INC. (CA) 2010-06-22 US disclosed
US-7714003-B2 Imidazo[2,1-b ]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS INC. (CA) 2010-05-11 US disclosed
US-7700635-B2 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS INC. (CA) 2010-04-20 US disclosed
EP-1463735-B1 IMIDAZO¬2,1-B -1,3,4-THIADIAZOLE SULFONAMIDES AEGERA THERAPEUTICS INC (CA) 2009-08-12 EP disclosed
US-20090042953-A1 IMIDAZO [2,1,-b]-1,3,4-THIADIAZOLE SULFONAMIDES AEGERA THERAPEUTICS, INC. (CA) 2009-02-12 US disclosed
US-20070265319-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-11-15 US disclosed
US-20070265319-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-11-15 US disclosed
US-20070238766-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-10-11 US disclosed
US-20070238768-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-10-11 US disclosed
US-20070238768-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-10-11 US disclosed
US-20070238766-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-10-11 US disclosed
US-7230019-B2 Imidazo [2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-06-12 US disclosed
US-7230019-B2 Imidazo [2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-06-12 US disclosed
US-20070088059-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides PHARMASCIENCE INC. (CA) 2007-04-19 US disclosed
US-20070088059-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides PHARMASCIENCE INC. (CA) 2007-04-19 US disclosed
US-20070021416-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-01-25 US disclosed
US-20070021416-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-01-25 US disclosed
US-20070021476-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides PHARMASCIENCE INC. (CA) 2007-01-25 US disclosed
US-20070021476-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides PHARMASCIENCE INC. (CA) 2007-01-25 US 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 (7 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-20070021476-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF CA1 748/4885CA2 2366/4885PTPN1 1370/4885
US-20090042953-A1 IMIDAZO [2,1,-b]-1,3,4-THIADIAZOLE SULFONAMIDES PMP22, SMN1; SMN2, BDNF CA1 880/4885CA2 2728/4885PTPN1 1480/4885
US-20070265319-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF CA1 748/4885CA2 2366/4885PTPN1 1370/4885
US-20070238766-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF CA1 748/4885CA2 2366/4885PTPN1 1370/4885
US-20070238768-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF CA1 748/4885CA2 2366/4885PTPN1 1370/4885
US-20070021416-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF CA1 748/4885CA2 2366/4885PTPN1 1370/4885
US-20070088059-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF CA1 748/4885CA2 2366/4885PTPN1 1370/4885

“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.