SCHEMBL6507788

SCHEMBL6507788

O=C1N=C(NC2CC3C=CC2C3)SC1CC(=O)N1CCCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 2/20 0.39
GRM7 Q14831 1/20 0.39
TSHR P16473 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6426277 0.95 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAMAPK1GAA
SCHEMBL6426948 0.87 L3MBTL1 (0.37) ALDH1A1LMNAGAAMAPTMEN1
SCHEMBL6387641 0.86 XIAP (0.36) MEN1KMT2A
SCHEMBL6427696 0.84 DPP8 (0.34) ALDH1A1GAATSHRKDM4E
SCHEMBL6427323 0.83 DPP4 (0.40) ALDH1A1LMNAKDM4EPKMMAPT
SCHEMBL6426470 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAMAPK1GAA
SCHEMBL6427585 0.82 ALDH1A1 (0.43) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL6506436 0.82 TSHR (0.53) ALDH1A1SMN1; SMN2MAPK1GAAGRM7
SCHEMBL6502545 0.82 TSHR (0.53) ALDH1A1SMN1; SMN2MAPK1GAAGRM7
SCHEMBL6500660 0.82 TSHR (0.53) ALDH1A1SMN1; SMN2MAPK1GAAGRM7

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 ALDH1A1 67/4885SMN1; SMN2 3733/4885LMNA 1964/4885

“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.