SCHEMBL4060153

SCHEMBL4060153

Clc1ccccc1Cc1nc2ncc(-c3ccco3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
PTGES O14684 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
PTPN7 P35236 1/20 0.38
RECQL P46063 1/20 0.38
DUSP3 P51452 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4057778 0.91 NOS3 (0.44) KDM4EMAPTLMNAPTGESNOS3
SCHEMBL4054333 0.84 GAA (0.43) KDM4EMAPTLMNAPTGESNOS3
SCHEMBL4057770 0.83 RNASEH1 (0.37) MAPTLMNAPTGESNOS3NOS1
SCHEMBL4060932 0.83 MAPT (0.42) KDM4EMAPTLMNANOS3NOS1
SCHEMBL4050911 0.83 ADRA2A (0.38) KDM4EMAPTLMNANOS3NOS1
SCHEMBL13608096 0.82 MAPT (0.44) KDM4EMAPTLMNAGAAMEN1
SCHEMBL4055272 0.81 GALR3 (0.44) MAPTLMNAGAAMEN1ALDH1A1
SCHEMBL4058304 0.81 ADORA2A (0.40) NOS3NOS1NOS2ADORA2AADORA1
SCHEMBL4061234 0.81 NOS3 (0.45) KDM4EMAPTLMNAPTGESNOS3
SCHEMBL4056319 0.80 NOS3 (0.40) KDM4EMAPTLMNANOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B KDM4E 496/4885MAPT 4026/4885LMNA 2175/4885

“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.