SCHEMBL532637

SCHEMBL532637

O=S(=O)(c1ccc(-c2nn3cc(I)nc3s2)cc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
GAA P10253 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
USP2 O75604 1/20 0.44
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 6/20 0.44
LMNA P02545 4/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 2/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL532982 0.87 MAPK1 (0.58) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL532636 0.78 PIK3CA (0.49) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL533271 0.75 PIK3CA (0.61) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL2253625 0.71 TP53 (0.69) POLBKMT2AMEN1ALDH1A1KDM4E
SCHEMBL12793245 0.70 POLB (0.88) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL5343051 0.69 ALDH1A1 (0.56) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL2477364 0.69 POLB (0.73) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL12793258 0.69 POLB (1.00) POLBGAAKMT2AMEN1ALDH1A1
SCHEMBL532646 0.68 CA12 (0.45) CA12CA1CA2CA9KCNH2
SCHEMBL624035 0.68 SMN1; SMN2 (0.40) GAAALDH1A1HSD17B10HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414369-B1 IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-12 EP disclosed
US-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed
US-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-19 US disclosed
EP-2414369-A1 IMIDAZO [2, 1-B][ 1, 3, 4]THIADIAZOLE DERIVATIVES Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-02-08 EP disclosed
WO-2010112874-A1 IMIDAZO [2, 1-B] [ 1, 3, 4 ] THIADIAZOLE DERIVATIVES CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2010-10-07 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 (1 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-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives PIK3CA, PI4KA, PIK3CD POLB 1960/4885GAA 2476/4885KMT2A 2527/4885

“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.