SCHEMBL5649627

SCHEMBL5649627

CC(C)C(NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.42
▸ TNKS O95271 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ AAK1 Q2M2I8 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.38
▸ F9 P00740 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ 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

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
SCHEMBL5649785 1.00 TRPA1 (0.42) TRPA1TNKSPARP1TNKS2AAK1
SCHEMBL5649621 1.00 TRPA1 (0.42) TRPA1TNKSPARP1TNKS2AAK1
SCHEMBL4075226 0.77 AAK1 (0.51) TRPA1AAK1ADORA3TP53KDM4E
SCHEMBL24807720 0.75 LMNA (0.50) LMNAPOLBSMN1; SMN2KDM4EMEN1
SCHEMBL21729493 0.75 AAK1 (0.42) TRPA1AAK1LMNASMN1; SMN2KDM4E
SCHEMBL28457041 0.75 AAK1 (0.42) TRPA1AAK1LMNASMN1; SMN2KDM4E
SCHEMBL28446403 0.75 ABCB1 (0.37) AAK1LMNAMEN1KMT2AABCB1
SCHEMBL4154097 0.75 AAK1 (0.46) TRPA1AAK1LMNASMN1; SMN2TP53
SCHEMBL15116495 0.75 CYP3A4 (0.43) TRPA1AAK1LMNAMAPTHPGD
SCHEMBL28586691 0.75 AAK1 (0.46) TRPA1AAK1LMNASMN1; SMN2TP53

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-7161002-B2 Syntheses of quinazolinones CYTOKINETICS, INC. (US) 2007-01-09 — — US disclosed
US-7009049-B2 Syntheses of quinazolinones CYTOKINETICS, INC. (US) 2006-03-07 — — US disclosed
US-20060041130-A1 Syntheses of quinazolinones CYTOKINETICS, INC. AND SMITHKLINE BEECHAM CORP. 2006-02-23 — — US disclosed
EP-1480980-A4 SYNTHESES OF QUINAZOLINONES CYTOKINETICS INC (US) 2005-04-20 — — EP disclosed
EP-1480980-A2 SYNTHESES OF QUINAZOLINONES Cytokinetics, Inc. (US) 2004-12-01 — — EP disclosed
US-20040067969-A1 Syntheses of quinazolinones CYTOKINETICS, INCORPORATED 2004-04-08 — — US disclosed
WO-2003070701-A2 SYNTHESES OF QUINAZOLINONES CYTOKINETICS, INC. (US) 2003-08-28 — — 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-20040067969-A1 Syntheses of quinazolinones NDUFS3, NDUFS2, NQO2 TRPA1 2328/4885TNKS 237/4885PARP1 410/4885
US-20060041130-A1 Syntheses of quinazolinones NDUFS3, NDUFS2, NQO2 TRPA1 2328/4885TNKS 237/4885PARP1 410/4885

“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.

Send feedback