SCHEMBL4532064

SCHEMBL4532064

O=C(O)N1CC(=O)N2CC3(CCN(Cc4ccccc4)CC3)OC2(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 2/20 0.39
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP19A1 P11511 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
HSP90AA1 P07900 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
SCHEMBL4518886 0.85 POLB (0.43) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL4454104 0.82 POLB (0.44) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL4532180 0.80 SIGMAR1 (0.42) ALDH1A1SIGMAR1OPRM1
SCHEMBL4534459 0.77 SIGMAR1 (0.44) ALDH1A1SIGMAR1OPRM1MAPK1
SCHEMBL4520059 0.75 CYP2D6 (0.45) ALDH1A1SIGMAR1OPRM1MAPK1
SCHEMBL4527683 0.75 SIGMAR1 (0.42) ALDH1A1SIGMAR1OPRM1MAPK1
SCHEMBL4449570 0.70 POLB (0.43) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL6078660 0.69 MEN1 (0.43) KMT2AALDH1A1SMN1; SMN2RAB9ASIGMAR1
SCHEMBL4165858 0.69 POLB (0.58) POLBKMT2AALDH1A1MAPTLMNA
SCHEMBL4530315 0.68 SIGMAR1 (0.36) ALDH1A1LMNASIGMAR1OPRM1MAPK1

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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
EP-1864984-A1 TRICYCLIC SPIRO COMPOUND COMPRISING ACYL GROUP BOUND TO NITROGEN ATOM IN THE RING MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A POLB 4242/4885KMT2A 500/4885ALDH1A1 2791/4885

“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.