SCHEMBL178443

SCHEMBL178443

Cc1cccc(CN2CCOCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.66
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 4/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 2/20 0.59
HPGD P15428 1/20 0.59
NOS1 P29475 1/20 0.58
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
CYP2A13 Q16696 1/20 0.51

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
SCHEMBL20663301 0.94 NCF1 (0.59) NCF1ALDH1A1KDM4EMAPTHTT
SCHEMBL11196105 0.87 NCF1 (0.83) NCF1ALDH1A1KDM4EHTTHPGD
SCHEMBL12981 0.84 HRH3 (0.69) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL31546411 0.84 HRH3 (0.69) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL12021982 0.83 HRH3 (0.73) MAPTHRH3
SCHEMBL24061140 0.83 HRH3 (0.58) NCF1ALDH1A1KDM4EHTTHPGD
SCHEMBL13376445 0.83 HRH3 (0.68) NCF1LMNASMN1; SMN2HRH3
SCHEMBL10235392 0.83 NCF1 (0.71) NCF1ALDH1A1KDM4EHTTHPGD
SCHEMBL12854 0.82 HRH3 (0.67) ALDH1A1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL29447423 0.82 HRH3 (0.67) ALDH1A1KDM4EMAPTHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
WO-2023239906-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-12-14 WO disclosed
US-20230346812-A1 METHODS FOR TREATING SARS COV-2 INFECTIONS GILEAD SCIENCES, INC. 2023-11-02 US disclosed
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
US-11684615-B2 Methods of using indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
US-11660307-B2 Methods for treating SARS CoV-2 infections GILEAD SCIENCES, INC. (US) 2023-05-30 US disclosed
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 US disclosed
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 US disclosed
US-20070027113-A1 Purine nucleoside phosphorylase inhibitory phosphonate compounds GILEAD SCIENCES, INC. 2007-02-01 US disclosed
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2007-02-01 US disclosed
US-20070027113-A1 Purine nucleoside phosphorylase inhibitory phosphonate compounds GILEAD SCIENCES, INC. 2007-02-01 US disclosed
US-20070027114-A1 Phosphonate analogs of antimetabolites GILEAD SCIENCES INC. 2007-02-01 US disclosed
US-20070027116-A1 Therapeutic phosphonate derivatives GILEAD SCIENCES, INC. 2007-02-01 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 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 (10 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-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 NCF1 753/4885ALDH1A1 4150/4885KDM4E 3979/4885
US-20070027116-A1 Therapeutic phosphonate derivatives PPP5C, PPP3CA, PPP4R3A NCF1 2538/4885ALDH1A1 3783/4885KDM4E 2791/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 NCF1 1416/4885ALDH1A1 1927/4885KDM4E 2591/4885
US-11684615-B2 Methods of using indazole-3-carboxamides and their use as Wnt/β-catenin signaling pathway inhibitors WNT3, WNT3A, WNT1 NCF1 2446/4885ALDH1A1 2846/4885KDM4E 3404/4885
US-20070027114-A1 Phosphonate analogs of antimetabolites TYMP, PHOSPHO1, PHPT1 NCF1 802/4885ALDH1A1 3847/4885KDM4E 3592/4885
US-11660307-B2 Methods for treating SARS CoV-2 infections ACE2, ACE, PNP NCF1 2217/4885ALDH1A1 579/4885KDM4E 2778/4885
US-20070027166-A1 Pyrazolo pyrimidines useful as aurora kinase inhibitors AURKA, AURKB, AURKC NCF1 3307/4885ALDH1A1 3764/4885KDM4E 951/4885
US-20230346812-A1 METHODS FOR TREATING SARS COV-2 INFECTIONS ACE2, ACE, PNP NCF1 2217/4885ALDH1A1 579/4885KDM4E 2778/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 NCF1 1949/4885ALDH1A1 3337/4885KDM4E 3256/4885
US-20070027113-A1 Purine nucleoside phosphorylase inhibitory phosphonate compounds PNP, TYMP, MTAP NCF1 1027/4885ALDH1A1 2178/4885KDM4E 2641/4885

“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.