SCHEMBL14029305

SCHEMBL14029305

CC(=O)c1sc(Nc2ccccc2[N+](=O)[O-])cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
MAPT P10636 6/20 0.48
GAA P10253 4/20 0.48
MAPK1 P28482 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
PKM P14618 1/20 0.48
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP7 P55210 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.43

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
SCHEMBL14029318 0.87 MEN1 (0.51) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL14029300 0.84 ALDH1A1 (0.49) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL14029307 0.79 MAPK14 (0.45) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL14029350 0.76 SMN1; SMN2 (0.36) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL5003023 0.74 AKR1C3 (0.43) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL5003025 0.74 AKR1C3 (0.43) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL4403033 0.73 ALDH1A1 (0.41) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL5726136 0.72 LMNA (0.40) MEN1KMT2AMAPTMAPK1TDP1
SCHEMBL13920986 0.71 MAPK1 (0.51) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL4055339 0.71 MAPK1 (0.62) AKR1C3AKR1C2MEN1KMT2AMAPT

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 AKR1C3 591/4885AKR1C2 518/4885MEN1 2827/4885

“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.