SCHEMBL2977918

SCHEMBL2977918

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.41
AKR1C4 P17516 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
AKR1B10 O60218 1/20 0.41
PLK1 P53350 13/20 0.41
PLK3 Q9H4B4 8/20 0.41
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NEK2 P51955 2/20 0.35
PIK3CD O00329 1/20 0.35
NUAK1 O60285 1/20 0.35
PDGFRB P09619 1/20 0.35
PIM1 P11309 1/20 0.35
KDR P35968 1/20 0.35
PIK3CG P48736 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 1.00 AKR1B1 (0.41) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2986971 0.94 PLK1 (0.41) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2973853 0.91 AKR1C3 (0.41) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2973849 0.91 AKR1C3 (0.41) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2988048 0.85 PLK1 (0.37) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2988050 0.85 PLK1 (0.37) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2982288 0.85 PLK1 (0.41) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4560751 0.85 PLK1 (0.41) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL14568212 0.84 PLK1 (0.39) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL13592940 0.84 PLK1 (0.39) AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1

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 4 patents. 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-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

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-20090005398-A1 Methods For The Treatment of Central Nervous System Tumors TUBB3, TUBB6, TUBB AKR1B1 3142/4885AKR1C4 3369/4885AKR1C3 2966/4885
US-20080214567-A1 Benzimidazole Thiophene Compounds ABCB1, ABCG2, CYP3A5 AKR1B1 2608/4885AKR1C4 1893/4885AKR1C3 2423/4885

“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.