SCHEMBL5549464

SCHEMBL5549464

CC(C)[C@@H]1SC(Nc2ccccc2)=NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.46
GLA P06280 1/20 0.46
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL1605270 0.89 CHEK2 (0.40) HPGDTSHRGLAALDH1A1SMN1; SMN2
SCHEMBL1605890 0.86 ROCK1 (0.38) HPGDTSHRGLACYP3A4MAPK1
SCHEMBL1606543 0.85 KCNH3 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1605708 0.84 GAA (0.41) NPC1RAB9AALOX15ALDH1A1SMN1; SMN2
SCHEMBL1383097 0.82 LMNA (0.51) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1605705 0.81 MEN1 (0.49) HPGDTSHRNPC1RAB9AALDH1A1
SCHEMBL1383748 0.81 HSD11B1 (0.39) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL21067474 0.81 HSD11B1 (0.39) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31419781 0.81 HSD11B1 (0.39) HPGDNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1383688 0.81 CCR4 (0.40) HPGDNPC1KMT2AMAPTLMNA

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-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 AMGEN INC. 2007-12-06 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-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 HSD11B1, HSD3B1, HSD17B1 HPGD 81/4885TSHR 2494/4885GLA 1472/4885

“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.