SCHEMBL1664916

SCHEMBL1664916

O=C(Nc1ccc(-n2ncc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1)c1cc[n+]([O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
TNIK Q9UKE5 1/20 0.43
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
GAA P10253 1/20 0.40
MAPK10 P53779 4/20 0.40
MAPK8 P45983 3/20 0.40
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MCL1 Q07820 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL1664914 0.95 TNIK (0.44) MAOBTNIKMAPTSMN1; SMN2KDM4E
SCHEMBL1663344 0.89 MAOB (0.56) MAOBTNIKMAPTSMN1; SMN2RAB9A
SCHEMBL1666463 0.88 MAPT (0.52) MAOBTNIKMAPTSMN1; SMN2KDM4E
SCHEMBL8771269 0.88 MAOB (0.47) MAOBTNIKMAPTSMN1; SMN2KDM4E
SCHEMBL6126511 0.87 MAOB (0.46) MAOBTNIKMAPTSMN1; SMN2KDM4E
SCHEMBL1665595 0.87 ABL1 (0.48) MAOBTNIKMAPTSMN1; SMN2KDM4E
SCHEMBL1664559 0.87 ABL1 (0.48) MAOBTNIKMAPTSMN1; SMN2KDM4E
SCHEMBL1664478 0.87 MAOB (0.46) MAOBTNIKMAPTSMN1; SMN2KDM4E
SCHEMBL8777699 0.87 TNIK (0.51) MAOBTNIKMAPTSMN1; SMN2KDM4E
SCHEMBL1663848 0.87 TNIK (0.47) MAOBTNIKMAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL MAOB 4300/4885TNIK 4121/4885MAPT 4622/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAOB 4439/4885TNIK 2914/4885MAPT 4411/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAOB 4439/4885TNIK 2914/4885MAPT 4411/4885

“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.