SCHEMBL5093350

SCHEMBL5093350

NCCNCCC(O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
AOC3 Q16853 1/20 0.45
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
KDM4E B2RXH2 2/20 0.39
DRD2 P14416 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
SCN5A Q14524 1/20 0.38
SLC18A3 Q16572 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CHRM2 P08172 1/20 0.37
DRD3 P35462 1/20 0.36

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
SCHEMBL8350845 0.85 AOC3 (0.53) MEN1KMT2AAOC3GABBR2GABBR1
SCHEMBL7350168 0.85 AOC3 (0.53) MEN1KMT2AAOC3GABBR2GABBR1
SCHEMBL8355999 0.85 AOC3 (0.53) MEN1KMT2AAOC3GABBR2GABBR1
SCHEMBL11747290 0.84 AOC3 (0.46) MEN1KMT2AAOC3GABBR2GABBR1
SCHEMBL15607723 0.83 AOC3 (0.52) MEN1KMT2AAOC3GABBR2GABBR1
SCHEMBL5093264 0.82 KDM4E (0.52) AOC3SIGMAR1KDM4E
Hydrochloric Acid SCHEMBL9621998 0.80 MEN1 (0.49) MEN1KMT2AAOC3SIGMAR1CYP1A2
Hydrochloric Acid SCHEMBL9622457 0.80 MEN1 (0.49) MEN1KMT2AAOC3SIGMAR1CYP1A2
Hydrochloric Acid SCHEMBL9622516 0.80 MEN1 (0.49) MEN1KMT2AAOC3SIGMAR1CYP1A2
Hydrochloric Acid SCHEMBL9621929 0.80 MEN1 (0.49) MEN1KMT2AAOC3SIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449477-B2 7-phenyl-isoquinoline-5-sulfonylamino derivatives as inhibitors of akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-11-11 US disclosed
US-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms ELI LILLY AND COMPANY 2007-02-15 US disclosed
EP-1689719-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2006-08-16 EP disclosed
WO-2005054202-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2005-06-16 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-20070037796-A1 e.g. 7-Phenyl-isoquinoline-5-sulfonic acid {2-[3 -(4-nitrophenyl)-propylamino]-ethyl}-amide, dihydrochloride salt; antiviral, antineoplastic, anticarcinogenic agents; neoplasms POLI, HRAS, CHUK MEN1 2522/4885KMT2A 1770/4885AOC3 4790/4885

“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.