SCHEMBL5093264

SCHEMBL5093264

NCCNCCC(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
AOC3 Q16853 4/20 0.48
HRH1 P35367 2/20 0.47
HTR2A P28223 1/20 0.47
KCNH2 Q12809 2/20 0.46
RIPK1 Q13546 1/20 0.46
LMNA P02545 1/20 0.44
BCAT2 O15382 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL42066 0.84 HRH1 (0.62) KDM4EL3MBTL1AOC3HRH1HTR2A
SCHEMBL3179795 0.84 HRH1 (0.62) KDM4EL3MBTL1AOC3HRH1HTR2A
SCHEMBL232834 0.84 HRH1 (0.62) KDM4EL3MBTL1AOC3HRH1HTR2A
SCHEMBL21896763 0.84 KDM4E (0.66) KDM4EL3MBTL1AOC3LMNABCAT2
SCHEMBL11381473 0.84 KDM4E (0.66) KDM4EL3MBTL1AOC3LMNABCAT2
SCHEMBL2185597 0.83 KDM4E (0.70) KDM4EL3MBTL1AOC3LMNABCAT2
SCHEMBL7356714 0.83 KDM4E (0.53) KDM4EL3MBTL1AOC3KCNH2RIPK1
SCHEMBL4204090 0.82 KCNH2 (0.65) HRH1HTR2AKCNH2LMNAALDH1A1
SCHEMBL5093350 0.82 MEN1 (0.48) KDM4EAOC3SIGMAR1
SCHEMBL9191899 0.82 ALDH1A1 (0.55) KDM4EL3MBTL1KCNH2RIPK1LMNA

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 KDM4E 2390/4885L3MBTL1 3340/4885AOC3 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.