SCHEMBL6504768

SCHEMBL6504768

O=C1N=C(Nc2ccccc2)SC1CC(=O)N1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GRM5 P41594 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6428167 0.86 HSP90AA1 (0.39) CYP2C19TSHRALDH1A1KMT2AMEN1
SCHEMBL6501525 0.84 TSHR (0.43) TSHRALDH1A1MAPTGAAKMT2A
SCHEMBL6505857 0.82 MAPT (0.45) CYP2C19TSHRALDH1A1MAPTGAA
SCHEMBL6499618 0.82 KMT2A (0.44) CYP2C19TSHRALDH1A1MAPTGAA
SCHEMBL6428309 0.81 GRM7 (0.46) CYP2C19TSHRALDH1A1MAPTGAA
SCHEMBL6427351 0.79 ALDH1A1 (0.51) CYP2C19TSHRALDH1A1MAPTGAA
SCHEMBL6425891 0.77 TSHR (0.49) CYP2C19TSHRALDH1A1L3MBTL1POLB
SCHEMBL6502742 0.77 TSHR (0.49) CYP2C19TSHRALDH1A1L3MBTL1POLB
SCHEMBL6429260 0.77 TSHR (0.49) CYP2C19TSHRALDH1A1L3MBTL1POLB
SCHEMBL6501368 0.77 TSHR (0.49) CYP2C19TSHRALDH1A1L3MBTL1POLB

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 CYP2C19 89/4885TSHR 2078/4885ALDH1A1 67/4885

“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.