SCHEMBL6428045

SCHEMBL6428045

CN(C(=O)CC1SC(NCC2CCCCC2)=NC1=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
EPHX1 P07099 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APP P05067 1/20 0.35
POLQ O75417 1/20 0.35
EPHX2 P34913 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL6393605 0.89 POLQ (0.36) POLQSLC6A2KDM1ARCOR1
SCHEMBL6388957 0.88 EPHX2 (0.40) ALDH1A1KMT2AEPHX2
SCHEMBL6386580 0.88 ATM (0.37) PKMALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6426356 0.86 PKM (0.48) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL6428237 0.86 PKM (0.48) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL6425910 0.85 PKM (0.46) PKMALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6429624 0.85 TP53 (0.40) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL13121967 0.84 KMT2A (0.33) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6428317 0.83 PKM (0.40) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL6427858 0.81 ALDH1A1 (0.36) PKMALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 PKM 1152/4885ALDH1A1 67/4885L3MBTL1 4470/4885

“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.