SCHEMBL66594

SCHEMBL66594

CC1=Cc2ccccc2[N]1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ACHE P22303 2/20 0.35
LMNA P02545 1/20 0.35
ALOX12 P18054 1/20 0.35
TRPA1 O75762 3/20 0.31

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
SCHEMBL5603847 0.72 ALDH1A1 (0.38) TSHRACHELMNAALOX12
SCHEMBL5601898 0.70 ALDH1A1 (0.39) TSHRACHE
SCHEMBL2159794 0.70 TRPA1 (0.31) TSHRLMNATRPA1
SCHEMBL1436102 0.70 TRPA1 (0.31) TRPA1
SCHEMBL2160079 0.70 TRPA1 (0.31) TRPA1
SCHEMBL5113734 0.70 TRPA1 (0.31) TSHRACHELMNAALOX12TRPA1
SCHEMBL7424947 0.70
SCHEMBL9004427 0.70 TSHR (0.32) TSHR
SCHEMBL5602389 0.70 TP53 (0.32)
SCHEMBL67783 0.70

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 1362 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49118-E1 Material for organic electroluminescence device and electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2022-06-28 US claimed
CN-107556298-B Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element 出光兴产株式会社 2021-12-21 CN claimed
CN-107586290-B Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element 出光兴产株式会社 2021-05-11 CN claimed
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2019-06-13 US claimed
US-10283717-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2019-05-07 US claimed
US-10246441-B2 Aromatic amine derivative, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-04-02 US claimed
US-20180090685-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2018-03-29 US claimed
US-20180040828-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2018-02-08 US claimed
US-9812661-B2 Organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2017-11-07 US claimed
US-9748496-B2 Nitrogenated heterocyclic derivative, electron-transporting material for organic electroluminescent elements, and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-08-29 US claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
US-5668087-A Herbicidal 1-alkenyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1997-09-16 US claimed
EP-0733624-A1 Herbicidal 1-alkenyltetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1996-09-25 EP claimed
EP-0431856-B1 Heterocyclic compounds ZENECA LTD (GB) 1995-07-12 EP claimed
US-5332737-A Cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-26 US claimed
EP-0431856-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1991-06-12 EP claimed

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-10246441-B2 Aromatic amine derivative, and organic electroluminescent element MAOB, MAOA, NAT1 TSHR 3804/4885ACHE 1337/4885LMNA 1923/4885
US-20180090685-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 TSHR 2393/4885ACHE 460/4885LMNA 3089/4885
US-10283717-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle SLC18A1, SLC18A2, AOC2 TSHR 2393/4885ACHE 460/4885LMNA 3089/4885
US-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 TSHR 464/4885ACHE 101/4885LMNA 4524/4885
US-20190177306-A1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT TYR, LEF1, EFNA1 TSHR 4314/4885ACHE 890/4885LMNA 1720/4885
US-20180040828-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 TSHR 2393/4885ACHE 460/4885LMNA 3089/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 TSHR 1134/4885ACHE 427/4885LMNA 4657/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 TSHR 1778/4885ACHE 847/4885LMNA 4737/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 TSHR 1134/4885ACHE 427/4885LMNA 4657/4885

“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.