SCHEMBL2423134

SCHEMBL2423134

O=[N+]([O-])c1ccccc1Nc1ccccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.65
▸ TDP1 Q9NUW8 3/20 0.65
▸ MAPK1 P28482 3/20 0.64
▸ CASP7 P55210 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ MYC P01106 3/20 0.62
▸ MAX P61244 2/20 0.56
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MAPT P10636 4/20 0.53
▸ GAA P10253 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.52
▸ FABP3 P05413 1/20 0.51
▸ FABP4 P15090 1/20 0.51
▸ FABP5 Q01469 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL25731196 0.87 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL397773 0.85 MAPK1 (0.77) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL27066893 0.84 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL18934842 0.84 MYC (0.56) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL12818174 0.81 MYC (0.61) ALDH1A1TDP1MYCMAXMEN1
SCHEMBL12595522 0.81 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL31588096 0.80 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL26547896 0.80 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL27170189 0.80 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL497457 0.79 TDP1 (0.80) ALDH1A1TDP1MAPK1CASP7L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes IDEMITSU KOSAN CO., LTD. (JP) 2021-11-16 — — US disclosed
EP-2362889-B1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORP (US) 2018-12-26 — — EP disclosed
WO-2017093958-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2017-06-08 — — WO disclosed
WO-2017093958-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE DERIVATIVES FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2017-06-08 — — WO disclosed
CN-102272261-B Phosphorescent emitters UNIVERSAL DISPLAY CORP 2014-02-26 — — CN disclosed
US-20130341599-A1 Phosphorescent Emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-12-26 — — US disclosed
CN-103396455-A Phosphorescent emitter UNIVERSAL DISPLAY CORP 2013-11-20 — — CN disclosed
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 — — US disclosed
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 — — US disclosed
US-8367223-B2 Heteroleptic phosphorescent emitters UNIVERSAL DISPLAY CORPORATION (US) 2013-02-05 — — US disclosed
CN-102272261-A Phosphorescent emitters — 2011-12-07 — — CN disclosed
EP-2362889-A1 PHOSPHORESCENT EMITTERS Universal Display Corporation (US) 2011-09-07 — — EP disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 — — US disclosed
US-20100141127-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-06-10 — — US disclosed
WO-2010056669-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-05-20 — — WO disclosed
WO-2010056669-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2010-05-20 — — 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 (2 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-20100141127-A1 PHOSPHORESCENT EMITTERS PAICS, TYMP, NUDT1 ALDH1A1 695/4885TDP1 248/4885MAPK1 3727/4885
US-11174258-B2 Benzimidazolo[1,2-a]benzimidazole derivatives for organic light emitting diodes KCNH2, KCNH3, KCNJ2 ALDH1A1 397/4885TDP1 3736/4885MAPK1 2877/4885

“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.

Send feedback