SCHEMBL3577258

SCHEMBL3577258

C[C@@H](Oc1cc(Nc2ccc(Br)cc2[N+](=O)[O-])sc1C(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.38
PLK3 Q9H4B4 5/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
AKR1B1 P15121 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3577255 1.00 PLK1 (0.38) PLK1PLK3MAPTRAB9AAKR1C3
SCHEMBL4778390 0.93 PLK1 (0.38) PLK1PLK3MAPTRAB9AAKR1C3
SCHEMBL3148252 0.93 PLK1 (0.38) PLK1PLK3MAPTRAB9AAKR1C3
SCHEMBL5002792 0.89 AKR1C3 (0.42) PLK1PLK3MAPTRAB9AAKR1C3
SCHEMBL5002794 0.89 AKR1C3 (0.42) PLK1PLK3MAPTRAB9AAKR1C3
SCHEMBL3567289 0.87 PKM (0.39) PLK1PLK3MAPTAKR1C3AKR1C2
SCHEMBL3567288 0.87 PKM (0.39) PLK1PLK3MAPTAKR1C3AKR1C2
SCHEMBL3569266 0.86 PLK1 (0.42) PLK1PLK3CYP3A4CYP2C9
SCHEMBL2988048 0.83 PLK1 (0.37) PLK1PLK3RAB9AAKR1C3AKR1C2
SCHEMBL2988050 0.83 PLK1 (0.37) PLK1PLK3RAB9AAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 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-20100056525-A1 5- AND 6- SUBSTITUTED BENZIMIDAZOLE THIOPHENE COMPOUNDS CYP3A5, CYP2B6, CYP3A4 PLK1 836/4885PLK3 1941/4885MAPT 1359/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PLK1 1718/4885PLK3 2097/4885MAPT 2606/4885

“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.