SCHEMBL4517481

SCHEMBL4517481

Brc1ccc(-c2nc(-c3cccc(Br)c3)n(-c3ccccc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.50
NR1H3 Q13133 3/20 0.50
AHR P35869 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL17336869 0.96 AHR (0.44) NR1H2NR1H3AHRSMN1; SMN2ABCG2
SCHEMBL17336613 0.90 AHR (0.48) NR1H2NR1H3AHRSMN1; SMN2
SCHEMBL29035848 0.90 NR1H2 (0.60) NR1H2NR1H3SMN1; SMN2NR1H4
SCHEMBL13921788 0.88 NR1H2 (0.57) NR1H2NR1H3AHRSMN1; SMN2NR1H4
SCHEMBL2818083 0.85 NR1H3 (0.57) NR1H2NR1H3SMN1; SMN2
SCHEMBL17336636 0.81 ACHE (0.46) AHRSMN1; SMN2
SCHEMBL13936046 0.80 SMN1; SMN2 (0.56) NR1H2NR1H3SMN1; SMN2
SCHEMBL4520381 0.80 NR1H2 (0.50) NR1H2NR1H3AHR
SCHEMBL13936045 0.80 SMN1; SMN2 (0.56) NR1H2NR1H3SMN1; SMN2
SCHEMBL17336858 0.80 AHR (0.42) AHRSMN1; 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 10 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
CN-101171239-B Electroluminescent device CIBA SC HOLDING AG 2013-08-14 CN 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
CN-101171239-A Electroluminescent device CIBA SC HOLDING AG (CH) 2008-04-30 CN disclosed
EP-1874740-A1 ELECTROLUMINESCENT DEVICE CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2008-01-09 EP disclosed
WO-2006114377-A1 ELECTROLUMINESCENT DEVICE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-11-02 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-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.