SCHEMBL20031659

SCHEMBL20031659

N#Cc1c(C#N)c2c(c3c1CCc1cc(O)ccc1-3)-c1ccc(O)cc1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.44
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
PRKCI P41743 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPKAPK2 P49137 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP26A1 O43174 1/20 0.38
EGFR P00533 2/20 0.38
AKR1B1 P15121 1/20 0.37
NR1H2 P55055 2/20 0.37

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
SCHEMBL25016883 0.89 EGFR (0.42) MIFMAOBMAOAPRKCIHSP90AA1
SCHEMBL20031654 0.83 EGFR (0.40) MIFKDM4EALDH1A1LMNAALOX12
SCHEMBL22683261 0.80 MEN1 (0.46) MIFMAOBALDH1A1GAAEGFR
SCHEMBL22703046 0.80 EGFR (0.44) MIFMAOBMAOAKDM4EALDH1A1
SCHEMBL22683257 0.78 MAOB (0.39) MIFMAOBMAOAALDH1A1GAA
SCHEMBL20031639 0.78 ALB (0.44) MAOBMAOAAKR1B1
SCHEMBL20031646 0.76 EGFR (0.58) KDM4EALDH1A1GAAMAPK1HTT
SCHEMBL25017594 0.76 PARP10 (0.43) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL20031900 0.74 EGFR (0.53) MIFKDM4EALDH1A1GAAMAPK1
SCHEMBL7281157 0.74 MIF (0.57) MIFMAOBMAOAPRKCIHSP90AA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578040-B2 [5]Helicene derivatives as molecular reporters for diagnostic applications and methods of synthesis therefor NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2023-02-14 US disclosed
US-11578040-B2 [5]Helicene derivatives as molecular reporters for diagnostic applications and methods of synthesis therefor NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2023-02-14 US disclosed
EP-3518746-B1 [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR NATIONAL SCIENCE AND TECH DEVELOPMENT AGENCY (TH) 2020-11-25 EP disclosed
EP-3518746-B1 [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR NATIONAL SCIENCE AND TECH DEVELOPMENT AGENCY (TH) 2020-11-25 EP disclosed
WO-2018063105-A1 [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2018-04-05 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 (1 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-11578040-B2 [5]Helicene derivatives as molecular reporters for diagnostic applications and methods of synthesis therefor OR51E2, HDHD5, WEE1 MIF 2017/4885MAOB 1990/4885MAOA 2352/4885

“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.