SCHEMBL6506802

SCHEMBL6506802

O=C1N=C(N2CCCCCC2)SC1CC(=O)N1CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL6388674 1.00 CYP2C19 (0.51) CYP2C19ALDH1A1KDM4EPOLBPKM
SCHEMBL6427337 0.81 ALDH1A1 (0.50) CYP2C19ALDH1A1KDM4EPOLBMEN1
SCHEMBL6430684 0.81 ALDH1A1 (0.50) CYP2C19ALDH1A1KDM4EPOLBMEN1
SCHEMBL6506436 0.80 TSHR (0.53) ALDH1A1KDM4EPOLBPKMMEN1
SCHEMBL6500660 0.80 TSHR (0.53) ALDH1A1KDM4EPOLBPKMMEN1
SCHEMBL6502545 0.80 TSHR (0.53) ALDH1A1KDM4EPOLBPKMMEN1
SCHEMBL6428309 0.80 GRM7 (0.46) CYP2C19ALDH1A1KDM4EPOLBPKM
SCHEMBL1605788 0.79 TSHR (0.46) ALDH1A1KDM4EPOLBPKMSMN1; SMN2
SCHEMBL6501483 0.77 TSHR (0.55) CYP2C19ALDH1A1POLBMEN1KMT2A
SCHEMBL6426299 0.77 GRM7 (0.46) ALDH1A1POLBKMT2ASMN1; SMN2MAPT

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 89/4885ALDH1A1 67/4885KDM4E 2824/4885

“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.