SCHEMBL6728467

SCHEMBL6728467

O=C(c1ncc(-c2cc[n+]([O-])cc2)cn1)N1CCN(S(=O)(=O)c2[nH]c3cccc(Cl)c3c2CO)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR1 P21554 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.31
PKM P14618 2/20 0.31
F10 P00742 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
USP2 O75604 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MET P08581 1/20 0.30
TACR1 P25103 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL6781215 0.85 F10 (0.37) POLBLMNAL3MBTL1GAAALDH1A1
SCHEMBL6726599 0.77 F10 (0.40) LMNAPKMF10TACR1
SCHEMBL6725364 0.77 F10 (0.39) LMNAL3MBTL1CNR1HRH4ALDH1A1
SCHEMBL6728466 0.76 GAA (0.33) POLBLMNAL3MBTL1GAAALDH1A1
SCHEMBL6736921 0.75 F10 (0.36) POLBL3MBTL1HRH4ALDH1A1F10
SCHEMBL6725867 0.74 CYP3A4 (0.40) HRH4ALDH1A1PKMF10
SCHEMBL6726413 0.73 F10 (0.38) HRH4ALDH1A1F10
SCHEMBL6737692 0.73 F10 (0.56) HRH4F10
SCHEMBL6728350 0.72 OPRM1 (0.40) LMNAL3MBTL1HRH4GAAF10
SCHEMBL6728346 0.72 HRH4 (0.45) LMNAHRH4GAAALDH1A1F10

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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 POLB 1782/4885LMNA 1760/4885L3MBTL1 274/4885

“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.