SCHEMBL458630

SCHEMBL458630

CCc1c[c]cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ ACP3 P15309 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GAA P10253 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
SCHEMBL8622063 0.84 KDM4E (0.40) CYP1A2CYP2C19CYP2D6ATMCYP2C9
SCHEMBL5747406 0.82 CYP1A2 (0.38) CYP1A2TDP1ATMKMT2AALDH1A1
SCHEMBL1972191 0.81 TLR8 (0.41) CYP1A2CYP2C19CYP2D6TDP1KMT2A
SCHEMBL28039041 0.80 TDP1 (0.43) CYP1A2TDP1ATMACP3KMT2A
SCHEMBL5750525 0.78 LIPG (0.45) CYP1A2CYP2C19CYP2D6KMT2AALDH1A1
SCHEMBL2256350 0.78 LIPG (0.45) CYP1A2CYP2C19CYP2D6KMT2AALDH1A1
SCHEMBL2253344 0.78 LIPG (0.45) CYP1A2CYP2C19CYP2D6KMT2AALDH1A1
SCHEMBL5747905 0.76 GABRA1 (0.39) CYP1A2CYP2C19CYP2D6TDP1CYP2C9
Water SCHEMBL8463988 0.76 CYP1A2 (0.57) CYP1A2CYP2C19CYP2D6TDP1CYP2C9
Water SCHEMBL28258264 0.76 CYP1A2 (0.57) CYP1A2CYP2C19CYP2D6TDP1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451987-B2 Toner, image forming apparatus, image forming method, and toner accommodating unit RICOH COMPANY, LTD. (JP) 2019-10-22 — — US disclosed
US-20190196349-A1 TONER, IMAGE FORMING APPARATUS, IMAGE FORMING METHOD, AND TONER ACCOMMODATING UNIT RICOH COMPANY, LTD. (JP) 2019-06-27 — — US disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 — — EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 — — EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 — — EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 — — US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 — — US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 — — US disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 — — EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 — — US disclosed
CN-1116850-A Optically active beta-aminoalkoxyborane complexes NISSAN CHEMICAL IND LTD (JP) 1996-02-14 — — CN disclosed
EP-0680484-A1 OPTICALLY ACTIVE $g(b)-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-11-08 — — EP disclosed
EP-0282895-B1 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMA CO LTD (JP) 1995-06-07 — — EP disclosed
WO-1994017079-A1 OPTICALLY ACTIVE β-AMINOALKOXYBORANE COMPLEX NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1994-08-04 — — WO disclosed
CN-1023801-C 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMA CO LTD (JP) 1994-02-16 — — CN disclosed
US-5037976-A Antimicrobial Agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-06 — — US disclosed
US-4898859-A 2-Oxa-isocephem compounds and compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 — — US disclosed
CN-88102161-A 2-oxa-isocephem compounds, compositions containing them and processes for their preparation — 1988-10-05 — — CN disclosed
EP-0282895-A2 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-09-21 — — EP disclosed
US-4104036-A TO IMPROVE OCTANE RATING ATLANTIC RICHFIELD COMPANY (US) 1978-08-01 — — 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 (4 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-10451987-B2 Toner, image forming apparatus, image forming method, and toner accommodating unit GALR3, TAAR5, TAAR1 CYP1A2 1647/4885CYP2C19 3682/4885CYP2D6 2822/4885
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 CYP1A2 36/4885CYP2C19 144/4885CYP2D6 30/4885
US-20190196349-A1 TONER, IMAGE FORMING APPARATUS, IMAGE FORMING METHOD, AND TONER ACCOMMODATING UNIT GALR3, TAAR5, TAAR1 CYP1A2 1647/4885CYP2C19 3682/4885CYP2D6 2822/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 CYP1A2 36/4885CYP2C19 144/4885CYP2D6 30/4885

“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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