SCHEMBL2986971

SCHEMBL2986971

COCOc1ccc([N+](=O)[O-])c(Nc2cc(O[C@H](C)c3ccccc3C(F)(F)F)c(C(=O)OC)s2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.41
PLK3 Q9H4B4 9/20 0.41
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAB9A P51151 1/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
NEK2 P51955 3/20 0.35
PIK3CD O00329 2/20 0.35
PDGFRB P09619 2/20 0.35
PIM1 P11309 2/20 0.35
PIK3CG P48736 2/20 0.35
NUAK1 O60285 1/20 0.35
KDR P35968 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL2977915 0.94 AKR1B1 (0.41) PLK1PLK3TP53RXFP1RAB9A
SCHEMBL2977918 0.94 AKR1B1 (0.41) PLK1PLK3TP53RXFP1RAB9A
SCHEMBL4560751 0.91 PLK1 (0.41) PLK1PLK3TP53RXFP1RAB9A
SCHEMBL2982288 0.91 PLK1 (0.41) PLK1PLK3TP53RXFP1RAB9A
SCHEMBL14568212 0.90 PLK1 (0.39) PLK1PLK3TP53RXFP1RAB9A
SCHEMBL13592940 0.90 PLK1 (0.39) PLK1PLK3TP53RXFP1RAB9A
SCHEMBL5141224 0.85 PLK1 (0.37) PLK1PLK3RAB9ACYP3A4CYP2C9
SCHEMBL2990377 0.85 PLK1 (0.37) PLK1PLK3RAB9ACYP3A4CYP2C9
SCHEMBL2973849 0.85 AKR1C3 (0.41) PLK1PLK3RAB9AAKR1B10AKR1B1
SCHEMBL2973853 0.85 AKR1C3 (0.41) PLK1PLK3RAB9AAKR1B10AKR1B1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
US-7786127-B2 Benzimidazole thiophene compounds Glaxo SmithKline LLC (US) 2010-08-31 US disclosed
WO-2009154645-A1 METHODS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM TUMORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-23 WO disclosed
WO-2009154645-A1 METHODS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM TUMORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-23 WO disclosed
EP-1937671-B1 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-12-16 EP disclosed
EP-1937671-B1 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-12-16 EP disclosed
US-7595330-B2 Benzimidazole thiophene compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-7595330-B2 Benzimidazole thiophene compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-7595330-B2 Benzimidazole thiophene compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
US-20090005398-A1 Methods For The Treatment of Central Nervous System Tumors SMITHKLINE BEECHAM CORPORATION 2009-01-01 US disclosed
US-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
US-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
US-20080214567-A1 Benzimidazole Thiophene Compounds GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
EP-1937671-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SmithKline Beecham Corporation (US) 2008-07-02 EP disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 US disclosed
US-20070270437-A1 Benzimidazole Thiophene Compounds CHEUNG MUI 2007-11-22 US disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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 (3 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-20090005398-A1 Methods For The Treatment of Central Nervous System Tumors TUBB3, TUBB6, TUBB PLK1 424/4885PLK3 1271/4885TP53 54/4885
US-20080214567-A1 Benzimidazole Thiophene Compounds ABCB1, ABCG2, CYP3A5 PLK1 344/4885PLK3 934/4885TP53 1145/4885
US-20070270437-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 PLK1 458/4885PLK3 1235/4885TP53 1176/4885

“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.