SCHEMBL2789429

SCHEMBL2789429

Brc1ccc(Nc2ncccc2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.50
DHODH Q02127 4/20 0.45
EPAS1 Q99814 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
TNF P01375 1/20 0.40
ADK P55263 1/20 0.40
LMNA P02545 1/20 0.40
GRM4 Q14833 1/20 0.40

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
SCHEMBL1821476 0.81 DHODH (0.50) ABCG2DHODHMEN1KMT2AALDH1A1
SCHEMBL4721393 0.78 DHODH (0.58) ABCG2DHODHMEN1KMT2AALDH1A1
SCHEMBL15401372 0.77 FABP3 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL28468092 0.77 ALDH1A1 (0.60) ABCG2MEN1KMT2AALDH1A1MAPT
SCHEMBL2817231 0.76 ABCG2 (0.38) ABCG2DHODHALDH1A1MAPK1
SCHEMBL17154885 0.75 DHODH (0.47) ABCG2DHODHMEN1KMT2AALDH1A1
SCHEMBL29648441 0.75 FABP3 (0.47) ABCG2MEN1KMT2AALDH1A1MAPT
SCHEMBL15987640 0.75 FABP3 (0.47) ABCG2MEN1KMT2AALDH1A1MAPT
SCHEMBL3807873 0.74 DHODH (0.77) DHODHMEN1KMT2AALDH1A1MAPT
SCHEMBL28033303 0.74 PTGS2 (0.59) MEN1KMT2AALDH1A1GAASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101747262-B Electron transport-injection compound and organic electroluminescent device using the same LG DISPLAY CO LTD 2012-11-07 CN disclosed
CN-102617456-A Electron transporting-injection compound and organic electroluminescent device using the same LG DISPLAY CO LTD 2012-08-01 CN disclosed
US-20100164371-A1 ELECTRON TRANSPORTING-INJECTION COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG. DISPLAY CO. LTD. (KR) 2010-07-01 US disclosed
CN-101747262-A Electron transport-injection compound and organic electroluminescent device using the same LG DISPLAY CO LTD 2010-06-23 CN 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-20100164371-A1 ELECTRON TRANSPORTING-INJECTION COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SLCO4C1, SLCO2A1, SLCO2B1 ABCG2 364/4885DHODH 1912/4885EPAS1 2698/4885

“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.