SCHEMBL4354043

SCHEMBL4354043

C[C@@H](Oc1cc(Nc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])sc1C(=O)O)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
MAPT P10636 8/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
OPRK1 P41145 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C1 Q04828 1/20 0.38
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
DHODH Q02127 1/20 0.36
HPGD P15428 3/20 0.36

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
SCHEMBL4354039 1.00 AKR1C3 (0.41) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL3250751 0.94 MEN1 (0.40) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL3265422 0.94 MEN1 (0.40) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL3567288 0.86 PKM (0.39) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL3567289 0.86 PKM (0.39) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL3615650 0.84 AKR1C3 (0.43) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL3615645 0.84 AKR1C3 (0.43) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL3146777 0.80 PKM (0.41) AKR1C3AKR1C2MAPTMEN1KMT2A
SCHEMBL3256785 0.80 PLK1 (0.41) MAPTPLK1PLK3
SCHEMBL3577258 0.79 PLK1 (0.38) AKR1C3AKR1C2MAPTALDH1A1AKR1B1

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-7615643-B2 3-[((1R)-1-{2-Chloro-3-[(1-methyl-4-piperidinyl)oxy]phenyl}ethyl)oxy]-5-[5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]-2-thiophenecarboxamide; polo like kinase enzyme inhibitors; anticarcinogenic agents for treating cancer SMITHKLINE BEECHAM CORPORATION (US) 2009-11-10 US disclosed
US-20090124615-A9 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2009-05-14 US disclosed
US-20080300247-A1 Benzimidazole Thiophene Compounds KUNTZ KEVIN 2008-12-04 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-20090124615-A9 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 AKR1C3 2242/4885AKR1C2 2149/4885MAPT 1126/4885
US-20080300247-A1 Benzimidazole Thiophene Compounds ABCB1, CYP3A5, ABCG2 AKR1C3 2242/4885AKR1C2 2149/4885MAPT 1126/4885

“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.