SCHEMBL532046

SCHEMBL532046

COc1cc(-c2nn3cc(C)nc3s2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
GAA P10253 3/20 0.50
MAPK1 P28482 3/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
PPARG P37231 1/20 0.50
RAB9A P51151 1/20 0.50
NCOA2 Q15596 1/20 0.50
NCOA1 Q15788 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.47
GFER P55789 1/20 0.47
FYN P06241 4/20 0.45

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
SCHEMBL532747 0.88 ALDH1A1 (0.64) ALDH1A1KDM4EMAPK1HPGDHSD17B10
SCHEMBL532047 0.79 PIK3CA (0.51) ALDH1A1KDM4EGAAMAPK1HPGD
SCHEMBL533102 0.77 PIK3CA (0.58) ALDH1A1KDM4EMAPK1HPGDHSD17B10
SCHEMBL532054 0.77 PIK3CA (0.52) ALDH1A1KDM4EGAAMAPK1HPGD
SCHEMBL532055 0.77 SNCA (0.51) ALDH1A1KDM4EGAAMAPK1HPGD
SCHEMBL532634 0.76 KDM4E (0.62) ALDH1A1KDM4EMAPK1HPGDHSD17B10
SCHEMBL532199 0.75 ALDH1A1 (0.61) ALDH1A1KDM4EGAAMAPK1HPGD
SCHEMBL3512772 0.74 FYN (0.60) GAARECQLGFERFYNCXCL12
SCHEMBL6359824 0.72 MEN1 (0.60) GAAMAPTRAB9ASMN1; SMN2RECQL
SCHEMBL532405 0.71 ALDH1A1 (0.67) ALDH1A1KDM4EMAPK1HPGDHSD17B10

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 ALDH1A1 1167/4885KDM4E 2479/4885GAA 2476/4885

“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.