SCHEMBL532055

SCHEMBL532055

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.51
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
GAA P10253 2/20 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
PIK3CA P42336 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
SCHEMBL532192 0.89 ALDH1A1 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2PIK3CA
SCHEMBL532054 0.88 PIK3CA (0.52) SNCAKDM4EALDH1A1HPGDGAA
SCHEMBL532047 0.78 PIK3CA (0.51) SNCAKDM4EALDH1A1HPGDGAA
SCHEMBL532046 0.77 ALDH1A1 (0.50) SNCAKDM4EALDH1A1HPGDGAA
SCHEMBL532191 0.77 PIK3CA (0.64) KDM4EALDH1A1HPGDGLAMAPT
SCHEMBL532677 0.75 ALDH1A1 (0.59) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL532398 0.74 PIK3CA (0.56) PIK3CAFYN
SCHEMBL2120634 0.72 PIK3CA (0.58) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL15975811 0.71 PIK3CA (0.71) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL532676 0.70 PIK3CA (0.79) KDM4EALDH1A1HPGDSMN1; SMN2PIK3CA

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 SNCA 4376/4885KDM4E 2479/4885ALDH1A1 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.