SCHEMBL4463549

SCHEMBL4463549

N#Cc1ccc(C(c2cccnc2)N(c2cccnc2)c2cccc(NC(=O)O)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
KCNA5 P22460 3/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM5 P41594 3/20 0.37
VNN1 O95497 1/20 0.35
KDM1A O60341 1/20 0.35
ABL1 P00519 1/20 0.34
PDGFRB P09619 1/20 0.34
BCR P11274 1/20 0.34
PDGFRA P16234 1/20 0.34
PRKCA P17252 1/20 0.34
MAPT P10636 1/20 0.33
MGLL Q99685 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL4468137 0.90 GAA (0.36) KCNA5LMNASMN1; SMN2GRM5
SCHEMBL4461864 0.86 SMN1; SMN2 (0.38) KCNA5LMNASMN1; SMN2
SCHEMBL4464191 0.81 KMT2A (0.39) KCNA5ALDH1A1LMNAGRM5
SCHEMBL4458274 0.81 CYP19A1 (0.49) CYP19A1KCNA5CYP11B1CYP11B2
SCHEMBL4456901 0.81 CYP19A1 (0.49) CYP19A1KCNA5CYP11B1CYP11B2HSD11B1
SCHEMBL4456765 0.80 POLB (0.42) KCNA5CYP11B1CYP11B2LMNAMAPT
SCHEMBL4461908 0.79 CYP19A1 (0.63) CYP19A1KCNA5CYP11B1CYP11B2ALDH1A1
SCHEMBL4453052 0.78 ALDH1A1 (0.40) CYP19A1ALDH1A1GRM5
SCHEMBL4453045 0.77 NR3C2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL4468106 0.77 CYP19A1 (0.46) CYP19A1KCNA5CYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-2004659-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2008-12-24 EP disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007120594-A1 SUBSTITUTED-DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-10-25 WO disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 CYP19A1 4359/4885KCNA5 11/4885CYP11B1 1977/4885

“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.