SCHEMBL6807906

SCHEMBL6807906

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.40
IDO1 P14902 2/20 0.39
MAPT P10636 7/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
HCAR3 P49019 1/20 0.34
ABCB1 P08183 4/20 0.33
KCNA5 P22460 2/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6807914 1.00 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19KCNH2IDO1
SCHEMBL6807910 1.00 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19KCNH2IDO1
SCHEMBL2875990 0.85 IDO1 (0.42) IDO1ABCB1KCNA5
SCHEMBL2875994 0.85 IDO1 (0.42) IDO1ABCB1KCNA5
SCHEMBL6807009 0.84 KCNH2 (0.49) KCNH2IDO1MAPTPOLBKMT2A
SCHEMBL6807010 0.84 KCNH2 (0.49) KCNH2IDO1MAPTPOLBKMT2A
SCHEMBL6922866 0.84 KCNH2 (0.49) KCNH2IDO1MAPTPOLBKMT2A
SCHEMBL2882292 0.83 KCNA5 (0.47) CYP1A2CYP2C9CYP2C19KCNH2L3MBTL1
SCHEMBL6269528 0.83 KCNA5 (0.47) CYP1A2CYP2C9CYP2C19KCNH2L3MBTL1
Methane SCHEMBL11192435 0.78 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19KCNH2MAPT

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 5 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
EP-1360182-B1 4-AMINOBENZOPYRAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-08-11 EP disclosed
US-20040068002-A1 4-aminobenzopyran derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-08 US disclosed
EP-1360182-A1 4-AMINOBENZOPYRAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2003-11-12 EP disclosed
WO-2002064581-A1 4-AMINOBENZOPYRAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-22 WO 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 CYP1A2 47/4885CYP2C9 49/4885CYP2C19 210/4885

“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.