SCHEMBL576898

SCHEMBL576898

[c]1cnc2cc3ccccc3cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.44
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
PDPK1 O15530 1/20 0.34

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
SCHEMBL1973 0.77 MAPT (0.36) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL2511032 0.75
SCHEMBL20773930 0.74 CYP2A6 (0.35) ACHEKDM4EHSD17B10CYP3A4CYP2A6
SCHEMBL20774007 0.74 DYRK1A (0.33) CYP2A6
SCHEMBL2517165 0.72 CYP3A4 (0.44) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL30459693 0.71 NQO2 (0.57) NQO2PI4KAPI4K2BPI4K2API4KB
SCHEMBL1193688 0.71 NQO2 (0.57) NQO2PI4KAPI4K2BPI4K2API4KB
SCHEMBL524746 0.70 ALDH1A1 (0.46) NQO2PI4KAPI4K2BPI4K2API4KB
SCHEMBL7040872 0.69 ALDH1A1 (0.48) NQO2ALDH1A1HPGDGLAMAPT
SCHEMBL2139252 0.68 ALDH1A1 (0.44) NQO2PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 US claimed
EP-3933457-A1 THERMOPLASTIC RESIN, METHOD FOR MANUFACTURING SAME, AND OPTICAL LENS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-01-05 EP claimed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 US claimed
US-11072573-B2 Binaphthyl compounds REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-07-27 US claimed
US-20200354299-A1 BINAPHTHYL COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-11-12 US claimed
CN-111712481-A Triarylmethane compounds 三菱瓦斯化学株式会社 2020-09-25 CN claimed
EP-3677615-A1 POLYCARBONATE RESIN, METHOD FOR PRODUCING SAME AND OPTICAL LENS Mitsubishi Gas Chemical Company, Inc. (JP) 2020-07-08 EP claimed
US-20200181325-A1 POLYCARBONATE RESIN, METHOD FOR PRODUCING THE SAME, AND OPTICAL LENS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-06-11 US claimed
EP-4399200-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS Mitsubishi Gas Chemical Company, Inc. (JP) 2024-07-17 EP disclosed
CN-118215702-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2024-06-18 CN disclosed
CN-118043298-A (Hetero) aryl-substituted bisphenol compound and thermoplastic resin 罗伊特化学仪器制造公司 2024-05-14 CN disclosed
CN-117940399-A Heteroaryl or aryl substituted bisphenol compounds and thermoplastic resins 三菱瓦斯化学株式会社 2024-04-26 CN disclosed
US-11952460-B2 Polycarbonate resin, method for producing the same, and optical lens MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-04-09 US disclosed
WO-2024068860-A1 OLIGOMERIC BINAPHTYL COMPOUNDS AND THERMOPLASTIC RESINS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2024-04-04 WO disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
US-7547693-B2 Such as N-methyl-N-(1-methylpiperidin-4-yl)-4-[4-(piperidin-1-yl)piperidin-1-yl]benzamide; histamine h3-antagonists BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-06-16 US disclosed
US-20070105901-A1 Novel piperidine derivative MSD K.K. (JP) 2007-05-10 US disclosed
EP-1669350-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 EP 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-20200354299-A1 BINAPHTHYL COMPOUNDS UACA, C9, C1S NQO2 69/4885PI4KA 1338/4885PI4K2B 1717/4885
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 NQO2 387/4885PI4KA 2577/4885PI4K2B 2540/4885
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 NQO2 387/4885PI4KA 2577/4885PI4K2B 2540/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S NQO2 69/4885PI4KA 1338/4885PI4K2B 1717/4885
US-20070105901-A1 Novel piperidine derivative HRH3, OPRM1, OPRK1 NQO2 3821/4885PI4KA 785/4885PI4K2B 1827/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 NQO2 2639/4885PI4KA 2768/4885PI4K2B 3155/4885

“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.