SCHEMBL6788481

SCHEMBL6788481

O=C(CBr)c1cc(Br)c(Br)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 1.00
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.38
USP2 O75604 1/20 0.36

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
SCHEMBL13919889 0.82 GSK3B (0.69) GSK3BMEN1KMT2AMAPTPOLB
SCHEMBL143904 0.82 GSK3B (1.00) GSK3BMEN1KMT2AMAPTPOLB
SCHEMBL30844757 0.80 GSK3B (0.67) GSK3BMEN1KMT2AMAPTALDH1A1
SCHEMBL12294979 0.80 GSK3B (0.67) GSK3BMEN1KMT2AMAPTKDM4E
SCHEMBL3900686 0.80 GSK3B (0.67) GSK3BMEN1KMT2AMAPTALDH1A1
SCHEMBL23330896 0.79 GSK3B (0.65) GSK3BMEN1KMT2AMAPTPOLB
SCHEMBL8923637 0.79 GSK3B (0.65) GSK3BMEN1KMT2AMAPTPOLB
SCHEMBL15483703 0.77 GSK3B (0.62) GSK3BMEN1KMT2AMAPTPOLB
SCHEMBL29745986 0.76 GSK3B (0.61) GSK3BMEN1KMT2AMAPTPOLB
SCHEMBL23330785 0.76 GSK3B (0.61) GSK3BMEN1KMT2AMAPTPOLB

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
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
WO-2003055479-A1 COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-07-10 WO disclosed
US-4105663-A HYPOTENSIVE, BLOCKING AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-08-08 US disclosed
US-4093628-A HYPOTENSIVE AGENTS, BLOCKING AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-06-06 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 4/4885MEN1 4253/4885KMT2A 2417/4885

“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.