SCHEMBL22158000

SCHEMBL22158000

O=Nc1cc(Br)ccc1Nc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ RAPGEF4 Q8WZA2 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ APP P05067 1/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ F13A1 P00488 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ TGM1 P22735 1/20 0.34
▸ TGM3 Q08188 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ ALK Q9UM73 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL12468914 0.85 AKR1C3 (0.39) AKR1C3AKR1C2RAPGEF4IDO1APP
SCHEMBL31488271 0.85 AKR1C3 (0.39) AKR1C3AKR1C2RAPGEF4IDO1APP
SCHEMBL13879940 0.77 SIGMAR1 (0.37) APPLMNAKMT2AMAPTMEN1
SCHEMBL9221044 0.75 ALDH1A1 (0.47) AKR1C3AKR1C2RAPGEF4IDO1PTGS1
SCHEMBL16867585 0.74 RAPGEF4 (0.44) AKR1C3AKR1C2RAPGEF4IDO1APP
SCHEMBL20036817 0.73 AKR1C3 (0.50) AKR1C3AKR1C2IDO1LMNAKMT2A
SCHEMBL12946054 0.71 MAPK13 (0.47) AKR1C3AKR1C2RAPGEF4APPPTGS1
SCHEMBL28973552 0.71 LMNA (0.47) AKR1C3AKR1C2RAPGEF4LMNAKMT2A
SCHEMBL9220119 0.70 ALDH1A1 (0.65) RAPGEF4APPKMT2AMAPTMEN1
SCHEMBL13375866 0.70 ALDH1A1 (0.43) RAPGEF4PTGS1PTGS2KMT2AMAPT

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
CN-111378437-A Organic electroluminescent compounds and organic electroluminescent device comprising the same 创王光电股份有限公司 2020-07-07 — — CN disclosed
US-20200207752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME INT TECH CO., LTD. (TW) 2020-07-02 — — 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-20200207752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING THE SAME L1CAM, OR10J3, ODC1 AKR1C3 2646/4885AKR1C2 2614/4885RAPGEF4 2081/4885

“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.

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