SCHEMBL14029318

SCHEMBL14029318

CC(=O)c1sc(Nc2ccccc2[N+](=O)[O-])cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
GAA P10253 3/20 0.51
MAPK1 P28482 2/20 0.51
PKM P14618 1/20 0.51
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP7 P55210 1/20 0.46
KCNMA1 Q12791 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
USP47 Q96K76 1/20 0.41
POLB P06746 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL14029305 0.87 AKR1C3 (0.50) MEN1KMT2AMAPTTDP1GAA
SCHEMBL14029300 0.84 ALDH1A1 (0.49) MEN1KMT2AMAPTTDP1GAA
SCHEMBL5003025 0.72 AKR1C3 (0.43) MEN1KMT2AMAPTTDP1GAA
SCHEMBL5003023 0.72 AKR1C3 (0.43) MEN1KMT2AMAPTTDP1GAA
SCHEMBL4403033 0.71 ALDH1A1 (0.41) MEN1KMT2AMAPTTDP1GAA
SCHEMBL11923425 0.71 USP47 (0.37) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL9120292 0.71 MEN1 (0.65) MEN1KMT2AMAPTTDP1GAA
SCHEMBL397773 0.70 MAPK1 (0.77) MEN1KMT2AMAPTTDP1GAA
SCHEMBL11327756 0.70 KMT2A (0.68) MEN1KMT2AMAPTTDP1GAA
SCHEMBL109703 0.68 MAPT (1.00) MEN1KMT2AMAPTTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 MEN1 2827/4885KMT2A 2688/4885MAPT 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.