SCHEMBL2321827

SCHEMBL2321827

[NH]C(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ADRA2A P08913 5/20 0.46
ADRA2B P18089 5/20 0.46
ADRA2C P18825 5/20 0.46
ADRA1A P35348 4/20 0.46
ADRA1D P25100 3/20 0.46
ADRA1B P35368 3/20 0.46
CYP2A6 P11509 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
KEAP1 Q14145 1/20 0.42
HPRT1 P00492 1/20 0.42
SLC6A4 P31645 1/20 0.42
ACP3 P15309 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
SCHEMBL7655344 0.81 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL7871912 0.81 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL128712 0.81 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL2494544 0.79 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL9950211 0.77 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL9950214 0.77 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL30861790 0.77 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL3255966 0.77 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL19514728 0.77 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL17224809 0.76 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3279961-B1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2023-07-19 EP disclosed
US-20230142222-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-05-11 US disclosed
US-20230128732-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-04-27 US disclosed
US-20230131577-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-04-27 US disclosed
EP-4144817-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL AND ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2023-03-08 EP disclosed
EP-4144816-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2023-03-08 EP disclosed
US-11600786-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2023-03-07 US disclosed
EP-4130193-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2023-02-08 EP disclosed
US-20220416177-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2022-12-29 US disclosed
CN-115443552-A Material for organic electroluminescent element and organic electroluminescent element 日铁化学材料株式会社 2022-12-06 CN disclosed
EP-2933851-A1 ORGANIC ELECTRICAL FIELD LIGHT-EMITTING ELEMENT Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2015-10-21 EP disclosed
US-20150115240-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-04-30 US disclosed
US-20110226622-A1 NOVEL CLEAR NATIVE ELECTROPHORESIS METHOD UTILIZING AROMATIC SULFONIC ACID COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-22 US disclosed
EP-2357469-A1 NOVEL CLEAR NATIVE ELECTROPHORESIS METHOD UTILIZING AROMATIC SULFONIC ACID COMPOUND Japan Science and Technology Agency (JP) 2011-08-17 EP disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 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 (6 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-20230131577-A1 ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, EPB41, EPB41L2 ALDH1A1 704/4885CYP1A2 1898/4885CYP2C9 2807/4885
US-20110226622-A1 NOVEL CLEAR NATIVE ELECTROPHORESIS METHOD UTILIZING AROMATIC SULFONIC ACID COMPOUND IK, CHAMP1, RAB5IF ALDH1A1 3839/4885CYP1A2 3876/4885CYP2C9 2396/4885
US-20220416177-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING SAME NR4A3, NR4A1, NR4A2 ALDH1A1 2564/4885CYP1A2 2281/4885CYP2C9 995/4885
US-11600786-B2 Organic electroluminescent element ELF3, LAGE3, ILF3 ALDH1A1 432/4885CYP1A2 513/4885CYP2C9 546/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 ALDH1A1 228/4885CYP1A2 68/4885CYP2C9 536/4885
US-20230142222-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, CTNNA1, CCNT1 ALDH1A1 161/4885CYP1A2 488/4885CYP2C9 1532/4885

“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.