SCHEMBL4050480

SCHEMBL4050480

Brc1ccc2nc(C=Cc3ccccc3)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 2/20 0.53
ELANE P08246 1/20 0.50
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
SNCA P37840 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL4050474 1.00 UTRN (0.53) UTRNELANETUBB4ATUBBTUBA3C
SCHEMBL4052315 0.88 UTRN (0.53) UTRNELANETUBB4ATUBBTUBA3C
SCHEMBL4052311 0.88 UTRN (0.53) UTRNELANETUBB4ATUBBTUBA3C
SCHEMBL4055545 0.82 ERBB2 (0.46) UTRNSNCANPC1RAB9AKMT2A
SCHEMBL4055549 0.82 ERBB2 (0.46) UTRNSNCANPC1RAB9AKMT2A
SCHEMBL4051820 0.82 UTRN (0.53) UTRNELANESNCAHDAC3HDAC4
SCHEMBL11351426 0.82 UTRN (0.53) UTRNELANESNCAHDAC3HDAC4
SCHEMBL11351424 0.82 UTRN (0.53) UTRNELANESNCAHDAC3HDAC4
SCHEMBL4051814 0.82 UTRN (0.53) UTRNELANESNCAHDAC3HDAC4
SCHEMBL27890469 0.81 MEN1 (0.59) SNCAHDAC3HDAC4HDAC1HDAC7

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 UTRN 4874/4885ELANE 3809/4885TUBB4A 930/4885

“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.