SCHEMBL6789159

SCHEMBL6789159

O=C(c1ccc(I)cc1)C(Br)Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 1.00
TPMT P51580 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PDPK1 O15530 1/20 0.41
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
APP P05067 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35

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
SCHEMBL9644843 0.87 GSK3B (0.76) GSK3BCA1CA2PDPK1ALDH1A1
SCHEMBL5080169 0.84 GSK3B (0.72) GSK3BTPMTCA1CA2SLC6A2
SCHEMBL5757857 0.82 GSK3B (0.69) GSK3BTPMTCA1CA2SLC6A2
SCHEMBL2096724 0.78 GSK3B (0.64) GSK3BCA1CA2SLC6A2SLC6A4
SCHEMBL2962521 0.78 GSK3B (0.64) GSK3BTPMTCA1CA2ALDH1A1
SCHEMBL7350941 0.78 GSK3B (0.64) GSK3BCA1CA2PDPK1PTPN1
SCHEMBL24408904 0.76 GSK3B (0.61) GSK3BTPMTCA1CA2SLC6A2
SCHEMBL3364624 0.76 GSK3B (0.61) GSK3BCA1CA2SLC6A2SLC6A3
SCHEMBL3424507 0.76 GSK3B (0.61) GSK3BCA1CA2ALDH1A1
SCHEMBL5696515 0.76 GSK3B (0.61) GSK3BALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747057-B2 SUCH 1-(2-BROMO-4,5-DICHLORO-THIOPHEN-3-YL)-2-CHLORO-ETHANONE FOR TREATMENT OF ALZHEIMER'S DISEASE OR DIABETES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2004-06-08 US disclosed
US-20030199508-A1 Compounds and their therapeutic use UNIVERSIDAD AUTONOMA DE MADRID (UAM) (ES) 2003-10-23 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-20030199508-A1 Compounds and their therapeutic use CNKSR1, CBR1, CBR3 GSK3B 4/4885TPMT 2104/4885CA1 1182/4885

“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.