SCHEMBL5349682

SCHEMBL5349682

COc1ccc2c(c1)NC(=O)CN=C2c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.72
TUBB P07437 3/20 0.72
TUBA3C P0DPH7 3/20 0.72
TUBA1B P68363 3/20 0.72
TUBA4A P68366 3/20 0.72
TUBB4B P68371 3/20 0.72
TUBB3 Q13509 3/20 0.72
TUBB2A Q13885 3/20 0.72
TUBB8 Q3ZCM7 3/20 0.72
TUBA3E Q6PEY2 3/20 0.72
TUBA1A Q71U36 3/20 0.72
TUBA1C Q9BQE3 3/20 0.72
TUBB6 Q9BUF5 3/20 0.72
TUBB2B Q9BVA1 3/20 0.72
TUBB1 Q9H4B7 3/20 0.72
GABRA1 P14867 2/20 0.64
GABRG2 P18507 2/20 0.64
GABRB3 P28472 2/20 0.64
GABRA5 P31644 2/20 0.64
GABRA3 P34903 2/20 0.64

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
SCHEMBL6627733 0.95 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4709615 0.90 PDE4D (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8726318 0.84 GABRA1 (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4708083 0.84 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5038191 0.83 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5349947 0.83 GABRA1 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1365846 0.80 GABRA1 (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Ro-052921 SCHEMBL29979594 0.79 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
Ro-052921 SCHEMBL1365706 0.79 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5486155 0.79 GABRA1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US claimed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-7238685-B2 Benzo-fused heterocycles as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-03 US disclosed
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits ACTELION PHARMACEUTICALS LTD. 2005-06-09 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 WO disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 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 (2 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-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits EDNRA, EDNRB, ECE1 TUBB4A 4806/4885TUBB 4734/4885TUBA3C 4622/4885
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A TUBB4A 2409/4885TUBB 1900/4885TUBA3C 2349/4885

“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.