Sugi Predict

Sugi Predict / Compounds / SCHEMBL7999745

SCHEMBL7999745

SCHEMBL7999745

N#CC(C#N)=C1C=C(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)OC(/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.35
▸ APP P05067 3/20 0.34
▸ MAPT P10636 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL10104129 1.00 RELA (0.35) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL13680267 1.00 RELA (0.35) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL7999749 1.00 RELA (0.35) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL14224319 0.94 RELA (0.47) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL14224321 0.92 MEN1 (0.42) MAPTALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL5448210 0.91 RELA (0.34) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL5448209 0.91 RELA (0.34) RELAAPPMAPTALDH1A1L3MBTL1
SCHEMBL13680268 0.90 APP (0.31) RELAAPPMAPTHDAC6
SCHEMBL15102163 0.90 MAPT (0.33) APPMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL990255 0.89 APP (0.33) RELAAPPMAPTALDH1A1L3MBTL1

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-6288206-B1 MIXED WITH DYE; HEAT RESISTANCE, STABILITY; ELECTROOPTICS; MOLECULAR OPTOELECTRONICS CORPORATION 2001-09-11 — — US claimed
US-11873293-B2 Organic molecules for optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-16 — — US disclosed
US-20230337538-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-19 — — US disclosed
EP-3755695-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2023-10-11 — — EP disclosed
US-20230309398-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-28 — — US disclosed
EP-3809479-B1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING BLUE LIGHT SAMSUNG DISPLAY CO LTD (KR) 2023-07-12 — — EP disclosed
US-20230159567-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 — — US disclosed
US-20220285621-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2022-09-08 — — US disclosed
US-11384070-B2 Organic molecules for optoelectronic devices CYNORA GMBH (DE) 2022-07-12 — — US disclosed
US-20200223831-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-16 — — US disclosed
US-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-13 — — US disclosed
US-9012761-B2 Organic photoelectric conversion material and photoelectric conversion element using the same FUJIFILM CORPORATION (JP) 2015-04-21 — — US disclosed
WO-2014026244-A1 PHOTOACTIVE OPTOELECTRONIC AND TRANSISTOR DEVICES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2014-02-20 — — WO disclosed
US-20090229670-A1 ORGANIC PHOTOELECTRIC CONVERSION MATERIAL AND PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME FUJIFILM CORPORATION (JP) 2009-09-17 — — US disclosed
US-6288206-B1 MIXED WITH DYE; HEAT RESISTANCE, STABILITY; ELECTROOPTICS; MOLECULAR OPTOELECTRONICS CORPORATION 2001-09-11 — — US disclosed
WO-2000054103-A1 CHIRAL POLYMER COMPOSITIONS EXHIBITING NONLINEAR OPTICAL PROPERTIES MOLECULAR OPTOELECTRONICS CORPORATION (US) 2000-09-14 — — 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 (9 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-20220285621-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, ORC3, C5 RELA 2733/4885APP 3276/4885MAPT 4804/4885
US-20090229670-A1 ORGANIC PHOTOELECTRIC CONVERSION MATERIAL AND PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME TRRAP, RARA, RARG RELA 939/4885APP 4017/4885MAPT 3828/4885
US-20230337538-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OCIAD1, OCIAD2, OR10J3 RELA 465/4885APP 2446/4885MAPT 784/4885
US-20230159567-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OXER1, OXSR1 RELA 2132/4885APP 2647/4885MAPT 4784/4885
US-20200223831-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES XDH, OR10J3, C1S RELA 2746/4885APP 2401/4885MAPT 4766/4885
US-11873293-B2 Organic molecules for optoelectronic devices XDH, C1S, OR10J3 RELA 2951/4885APP 2374/4885MAPT 4712/4885
US-11384070-B2 Organic molecules for optoelectronic devices XDH, C1S, OR10J3 RELA 2595/4885APP 2415/4885MAPT 4745/4885
US-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 RELA 3799/4885APP 3064/4885MAPT 3572/4885
US-20230309398-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES RXFP4, OR10J3, RXFP3 RELA 2685/4885APP 4012/4885MAPT 4697/4885

“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.