SCHEMBL532054

SCHEMBL532054

COc1cc(-c2nn3c(I)c(C)nc3s2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.52
SNCA P37840 1/20 0.48
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 5/20 0.47
GAA P10253 3/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
PPARG P37231 1/20 0.47
RAB9A P51151 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK1 P28482 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RECQL P46063 1/20 0.44

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
SCHEMBL532191 0.89 PIK3CA (0.64) PIK3CAALDH1A1KDM4EHPGDGLA
SCHEMBL532055 0.88 SNCA (0.51) PIK3CASNCAALDH1A1KDM4EHPGD
SCHEMBL533102 0.81 PIK3CA (0.58) PIK3CAALDH1A1KDM4EHPGDMAPT
SCHEMBL532047 0.78 PIK3CA (0.51) PIK3CASNCAALDH1A1KDM4EHPGD
SCHEMBL532046 0.77 ALDH1A1 (0.50) PIK3CASNCAALDH1A1KDM4EHPGD
SCHEMBL532192 0.77 ALDH1A1 (0.58) PIK3CAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL15975811 0.75 PIK3CA (0.71) PIK3CAALDH1A1KDM4EHPGDGAA
SCHEMBL532676 0.75 PIK3CA (0.79) PIK3CAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL532397 0.74 PIK3CA (0.57) PIK3CAFYN
SCHEMBL533090 0.72 PIK3CA (0.79) PIK3CAALDH1A1KDM4EHPGDGLA

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 PIK3CA 1/4885SNCA 4376/4885ALDH1A1 1167/4885

“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.