SCHEMBL7049239

SCHEMBL7049239

COC(=O)C1=C(CBr)NC(CBr)=C(C(=O)OC)C1c1ccccc1OC(F)F

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.70
TSHR P16473 4/20 0.42
TP53 P04637 3/20 0.42
GAA P10253 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CACNA1F O60840 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39

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
Bromide SCHEMBL7046108 0.85 NR1I2 (0.62) NR1I2TSHRTP53GAASMN1; SMN2
SCHEMBL7045838 0.84 NR1I2 (0.65) NR1I2TSHRTP53GAASMN1; SMN2
Riodipine SCHEMBL29389667 0.83 NR1I2 (1.00) NR1I2TSHRTP53GAASMN1; SMN2
Riodipine SCHEMBL636400 0.83 NR1I2 (1.00) NR1I2TSHRTP53GAASMN1; SMN2
SCHEMBL28735856 0.80 NR1I2 (0.58) NR1I2TSHRTP53GAASMN1; SMN2
SCHEMBL10893108 0.79 NR1I2 (0.91) NR1I2TSHRTP53GAASMN1; SMN2
SCHEMBL24116766 0.78 NR1I2 (0.60) NR1I2TSHRTP53GAASMN1; SMN2
SCHEMBL7049245 0.78 NR1I2 (0.66) NR1I2TSHRTP53GAASMN1; SMN2
SCHEMBL24116895 0.75 NR1I2 (0.55) NR1I2TSHRTP53GAASMN1; SMN2
SCHEMBL24116896 0.75 NR1I2 (0.55) NR1I2TSHRTP53GAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 US 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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds ACIN1, DNA2, KPNA1 NR1I2 2809/4885TSHR 4680/4885TP53 188/4885

“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.