SCHEMBL5099485

SCHEMBL5099485

NC(=O)CNCCCc1ccc(Cl)cc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.54
KCNH2 Q12809 2/20 0.54
GCGR P47871 2/20 0.44
KIF11 P52732 1/20 0.42
CNR1 P21554 1/20 0.41
LMNA P02545 2/20 0.41
RORB Q92753 3/20 0.40
RORC P51449 2/20 0.40
S1PR4 O95977 1/20 0.40
S1PR5 Q9H228 1/20 0.40
HPGD P15428 1/20 0.40
EIF4EBP1 Q13541 1/20 0.39
SLC2A1 P11166 1/20 0.39
P2RX1 P51575 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
MPO P05164 1/20 0.39
IDH1 O75874 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL5099497 0.86 MAOB (0.42) CTSKKCNH2GCGRCNR1LMNA
SCHEMBL5099405 0.84 ACLY (0.46) CTSKKCNH2CNR1HPGD
SCHEMBL5099462 0.84 CTSK (0.51) CTSKKCNH2S1PR4S1PR5
SCHEMBL5093297 0.80 CNR1 (0.45) CNR1LMNAHPGDP2RX1MAPT
SCHEMBL5099387 0.77 CNR1 (0.48) CNR1HPGDP2RX7
SCHEMBL5097034 0.75 CTSK (0.47) CTSKKCNH2CYP1A2CYP3A4CYP2C19
SCHEMBL5093211 0.75 MAOA (0.41) CNR1MPO
SCHEMBL21508378 0.74 RORB (0.46) KCNH2GCGRLMNARORBRORC
SCHEMBL5105826 0.73 CTSK (0.39) CTSKKCNH2LMNAMPOMAPT
SCHEMBL17594208 0.71 CA12 (0.45) LMNAHPGDMPOMAPTCYP3A4

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 CTSK 2152/4885KCNH2 2049/4885GCGR 1860/4885

“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.