SCHEMBL4520381

SCHEMBL4520381

Brc1ccc(-c2nc(-c3ccc(Br)cc3)n(-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.50
NR1H3 Q13133 3/20 0.50
AHR P35869 7/20 0.46
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42

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
SCHEMBL2818083 0.91 NR1H3 (0.57) NR1H2NR1H3
SCHEMBL13921788 0.91 NR1H2 (0.57) NR1H2NR1H3AHR
SCHEMBL29035848 0.90 NR1H2 (0.60) NR1H2NR1H3
SCHEMBL13921742 0.81 NR1H3 (0.55) NR1H2NR1H3
SCHEMBL13921717 0.81 NR1H3 (0.55) NR1H2NR1H3
SCHEMBL30065425 0.81 PTGS2 (0.53) PTGS1PTGS2
SCHEMBL13921714 0.81 NR1H3 (0.58) NR1H2NR1H3
SCHEMBL4517481 0.80 NR1H2 (0.50) NR1H2NR1H3AHR
SCHEMBL13921800 0.79 NPC1 (0.44) NR1H2NR1H3PTGS1PTGS2
SCHEMBL13936046 0.78 SMN1; SMN2 (0.56) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9113536-B2 Electroluminescent device BASF SE (DE) 2015-08-18 US disclosed
US-9113536-B2 Electroluminescent device BASF SE (DE) 2015-08-18 US disclosed
US-9113536-B2 Electroluminescent device BASF SE (DE) 2015-08-18 US disclosed
US-20090066231-A1 Electroluminescent device UDC IRELAND LIMITED (IE) 2009-03-12 US disclosed
US-20090066231-A1 Electroluminescent device UDC IRELAND LIMITED (IE) 2009-03-12 US disclosed
US-20090066231-A1 Electroluminescent device UDC IRELAND LIMITED (IE) 2009-03-12 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-20090066231-A1 Electroluminescent device CD99, TEC, TYR NR1H2 1883/4885NR1H3 1550/4885AHR 629/4885

“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.