SCHEMBL6807010

SCHEMBL6807010

CCCCCN[C@H]1c2cc(NC(C)=O)c([N+](=O)[O-])cc2OC(C)(C)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
HCAR3 P49019 3/20 0.41
KMT2A Q03164 1/20 0.36
IDO1 P14902 2/20 0.36
CNR2 P34972 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
MAPT P10636 3/20 0.35
CNR1 P21554 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL6807009 1.00 KCNH2 (0.49) KCNH2HCAR3KMT2AIDO1CNR2
SCHEMBL6922866 1.00 KCNH2 (0.49) KCNH2HCAR3KMT2AIDO1CNR2
SCHEMBL6167712 0.87 KCNH2 (0.49) KCNH2KMT2AALDH1A1LMNAMAPT
SCHEMBL6167720 0.87 KCNH2 (0.49) KCNH2KMT2AALDH1A1LMNAMAPT
SCHEMBL6167716 0.87 KCNH2 (0.49) KCNH2KMT2AALDH1A1LMNAMAPT
SCHEMBL6166252 0.86 KCNH2 (0.49) KCNH2KMT2AALDH1A1LMNAHPGD
SCHEMBL6166248 0.86 KCNH2 (0.49) KCNH2KMT2AALDH1A1LMNAHPGD
SCHEMBL6166243 0.86 KCNH2 (0.49) KCNH2KMT2AALDH1A1LMNAHPGD
SCHEMBL9550572 0.85 KCNH2 (0.53) KCNH2KMT2ANPSR1MAPTHTT
SCHEMBL9550576 0.85 KCNH2 (0.53) KCNH2KMT2ANPSR1MAPTHTT

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-6809114-B2 ANTIARRHYTHMIC AGENTS; SUCH AS 6-ACETYLAMINO-3,4-DIHYDRO-2,2-DIMETHYL-7-NITRO-4-N-PENTYLAMINO-2H-1 -BENZOPYRAN-3-OL NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-26 US disclosed
US-20040068002-A1 4-aminobenzopyran derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-08 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-20040068002-A1 4-aminobenzopyran derivatives CYP2D6, KCNH1, CYP2B6 KCNH2 5/4885HCAR3 604/4885KMT2A 2128/4885

“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.