SCHEMBL4123217

SCHEMBL4123217

CN([C@@H]1CCC[C@H](C(=O)O)C1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
ACHE P22303 1/20 0.46
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL4112204 1.00 KMT2A (0.47) KMT2AMEN1ACHEHTTNPC1
SCHEMBL13775372 0.85 KMT2A (0.49) KMT2AMEN1ACHEHTTALDH1A1
SCHEMBL7750057 0.83 KMT2A (0.56) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL2825482 0.81 KMT2A (0.56) KMT2AMEN1ACHEALDH1A1LMNA
SCHEMBL4534838 0.80 KMT2A (0.53) KMT2AMEN1ACHENPC1ALDH1A1
SCHEMBL22042521 0.80 MEN1 (0.46) KMT2AMEN1ACHENPC1ALDH1A1
SCHEMBL22042598 0.79 KMT2A (0.48) KMT2AMEN1ACHENPC1ALDH1A1
SCHEMBL31092647 0.79 KMT2A (0.48) KMT2AMEN1ACHENPC1ALDH1A1
SCHEMBL4117456 0.77 MEN1 (0.70) KMT2AMEN1ACHEHTTNPC1
SCHEMBL4117452 0.77 MEN1 (0.70) KMT2AMEN1ACHEHTTNPC1

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR KMT2A 1467/4885MEN1 2041/4885ACHE 434/4885

“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.