SCHEMBL4055977

SCHEMBL4055977

COc1ccc(Cc2nc3ncc(-c4ccco4)cc3[nH]2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
NOS3 P29474 3/20 0.41
NOS1 P29475 3/20 0.41
NOS2 P35228 3/20 0.41
SIRT1 Q96EB6 1/20 0.40
SMPD3 Q9NY59 1/20 0.40
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 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
SCHEMBL4054350 0.93 POLB (0.52) POLBNOS3NOS1NOS2SIRT1
SCHEMBL4052694 0.87 TUBB4A (0.52) POLBNOS3NOS1NOS2SIRT1
SCHEMBL4057348 0.87 NOS3 (0.48) POLBNOS3NOS1NOS2SIRT1
SCHEMBL4058754 0.85 NOS3 (0.48) NOS3NOS1NOS2KDM4ELMNA
SCHEMBL4056469 0.84 NOS3 (0.54) POLBNOS3NOS1NOS2KDM4E
SCHEMBL4055088 0.84 PRNP (0.42) POLBNOS3NOS1NOS2SIRT1
SCHEMBL4062481 0.84 NOS3 (0.48) POLBNOS3NOS1NOS2SIRT1
SCHEMBL13608281 0.84 POLB (0.43) POLBSIRT1KDM4EMAPTLMNA
SCHEMBL4062382 0.83 NOS1 (0.47) POLBNOS3NOS1NOS2SMPD3
SCHEMBL4056319 0.82 NOS3 (0.40) NOS3NOS1NOS2KDM4EMAPT

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 POLB 783/4885NOS3 907/4885NOS1 879/4885

“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.