SCHEMBL5099405

SCHEMBL5099405

NC(=O)CNCCCc1ccc(Cl)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 4/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HPGD P15428 1/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 1/20 0.40
ACKR3 P25106 1/20 0.40
HTR2B P41595 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CTSK P43235 1/20 0.37
KCNH2 Q12809 1/20 0.37
METAP2 P50579 1/20 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
SCHEMBL5105826 0.85 CTSK (0.39) FFAR1FFAR4ALDH1A1CTSKKCNH2
SCHEMBL5099485 0.84 CTSK (0.54) HPGDCTSKKCNH2CNR1
SCHEMBL5099924 0.84 HDAC3 (0.45) FFAR1FFAR4HDAC1HDAC8KDM4E
SCHEMBL5099387 0.84 CNR1 (0.48) ACLYHPGDPLAAT3PLAAT5PLAAT2
SCHEMBL5093297 0.84 CNR1 (0.45) HPGDHDAC1KDM4EALDH1A1MEN1
SCHEMBL5099415 0.83 ACLY (0.42) ACLYPTGDR2FFAR1FFAR4HPGD
SCHEMBL5099462 0.82 CTSK (0.51) PTGDR2KDM4EALDH1A1CTSKKCNH2
SCHEMBL5106325 0.81 PTGDR2 (0.48) PTGDR2HPGDHDAC1ALDH1A1MEN1
SCHEMBL5093211 0.79 MAOA (0.41) HDAC1MEN1KMT2ACNR1
SCHEMBL17594208 0.78 CA12 (0.45) HPGDALDH1A1MEN1KMT2A

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 ACLY 1663/4885PTGDR2 2733/4885FFAR1 2642/4885

“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.