SCHEMBL532199

SCHEMBL532199

COc1ccc(-c2nn3cc(I)nc3s2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
KDM4E B2RXH2 6/20 0.61
HPGD P15428 5/20 0.61
MAPK1 P28482 4/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.52
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PIK3CA P42336 3/20 0.47
PKM P14618 1/20 0.47
STAT6 P42226 1/20 0.47
DCTPP1 Q9H773 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL532634 0.85 KDM4E (0.62) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL533102 0.81 PIK3CA (0.58) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL532405 0.78 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL532335 0.77 CA12 (0.53) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL532290 0.76 KDM4E (0.51) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL532046 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL532191 0.75 PIK3CA (0.64) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL532192 0.75 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL532376 0.75 PIK3CA (0.43) CYP1A2CYP3A4CYP2C9PIK3CADCTPP1

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 2479/4885HPGD 2124/4885

“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.