SCHEMBL3567288

SCHEMBL3567288

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
MAPT P10636 5/20 0.38
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PLK1 P53350 5/20 0.36
HCAR3 P49019 1/20 0.36
PLK3 Q9H4B4 3/20 0.35
CDK2 P24941 1/20 0.35
IKBKE Q14164 1/20 0.35
HPGD P15428 2/20 0.35
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C1 Q04828 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
SCHEMBL3567289 1.00 PKM (0.39) PKMMAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL3146777 0.92 PKM (0.41) PKMMAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL3577255 0.87 PLK1 (0.38) MAPTAKR1C3AKR1C2ALDH1A1SMN1; SMN2
SCHEMBL3577258 0.87 PLK1 (0.38) MAPTAKR1C3AKR1C2ALDH1A1SMN1; SMN2
SCHEMBL4354043 0.86 AKR1C3 (0.41) PKMMAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL4354039 0.86 AKR1C3 (0.41) PKMMAPTAKR1C3AKR1C2ALDH1A1
SCHEMBL3577059 0.86 PLK1 (0.40) PLK1PLK3CDK2IKBKE
SCHEMBL4632609 0.81 PLK1 (0.35) MAPTAKR1C3AKR1C2ALDH1A1SMN1; SMN2
SCHEMBL4632611 0.81 PLK1 (0.35) MAPTAKR1C3AKR1C2ALDH1A1SMN1; SMN2
SCHEMBL5008912 0.81 ALDH1A1 (0.38) MAPTAKR1C3AKR1C2ALDH1A1MEN1

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 PKM 609/4885MAPT 1359/4885AKR1C3 2648/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 PKM 524/4885MAPT 2606/4885AKR1C3 591/4885

“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.