SCHEMBL3943281

SCHEMBL3943281

CC1(C)Oc2cc([N+](=O)[O-])c(CC(N)=O)cc2C2OC21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.35
CTSD P07339 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAOA P21397 3/20 0.32
MAOB P27338 2/20 0.32
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
MEN1 O00255 2/20 0.31

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
SCHEMBL6982321 0.79 CYP1A2 (0.55) CYP1A2CYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL10347703 0.77 CYP1A2 (0.38) CYP1A2CYP2C19CYP2C9KCNH2CYP3A4
SCHEMBL9742504 0.77 CYP1A2 (0.55) CYP1A2CYP2C19CYP2C9CYP3A4ALDH1A1
SCHEMBL12961840 0.76 KCNH2 (0.42) CYP1A2CYP2C19CYP2C9KCNH2ALDH1A1
SCHEMBL6161775 0.76 KCNH2 (0.42) CYP1A2CYP2C19CYP2C9KCNH2ALDH1A1
SCHEMBL13951737 0.76 KCNH2 (0.42) CYP1A2CYP2C19CYP2C9KCNH2ALDH1A1
SCHEMBL14765557 0.76 KCNH2 (0.42) CYP1A2CYP2C19CYP2C9KCNH2ALDH1A1
SCHEMBL6163980 0.76 KCNH2 (0.47) CYP1A2CYP2C9KCNH2CYP3A4ALDH1A1
SCHEMBL2882586 0.75 ALDH1A1 (0.38) CYP1A2CYP2C19CYP2C9KCNH2CYP3A4
SCHEMBL2882585 0.75 ALDH1A1 (0.38) CYP1A2CYP2C19CYP2C9KCNH2CYP3A4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
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
EP-0571822-B1 Diazabicycloalkene derivatives DAIICHI SEIYAKU CO (JP) 2001-08-16 EP disclosed
CN-1061346-C Diazabicycloalkene derivatives DAIICHI SEIYAKU CO (JP) 2001-01-31 CN disclosed
US-5418232-A Hypotensive, increases renal blood flow DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-23 US disclosed
CN-1082042-A Diazabicycloalkene derivatives DAIICHI SEIYAKU CO (JP) 1994-02-16 CN disclosed
EP-0571822-A1 Diazabicycloalkene derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-12-01 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 (2 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 47/4885CYP2C19 210/4885CYP2C9 49/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 CYP1A2 3/4885CYP2C19 1/4885CYP2C9 2/4885

“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.