SCHEMBL7562997

SCHEMBL7562997

CCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.64
HIF1A Q16665 6/20 0.64
CYP2C9 P11712 6/20 0.64
ADORA3 P0DMS8 5/20 0.64
CYP3A4 P08684 5/20 0.64
CYP2C19 P33261 5/20 0.64
KMT2A Q03164 5/20 0.64
LMNA P02545 4/20 0.64
MAPT P10636 4/20 0.64
CACNA1C Q13936 3/20 0.64
ABCB11 O95342 3/20 0.64
SCN1A P35498 3/20 0.64
SCN5A Q14524 3/20 0.64
SCN2A Q99250 3/20 0.64
SCN3A Q9NY46 3/20 0.64
CYP2D6 P10635 3/20 0.64
TSHR P16473 3/20 0.64
NFKB1 P19838 3/20 0.64
THPO P40225 3/20 0.64
KDM4E B2RXH2 3/20 0.64

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
SCHEMBL10932847 0.90 CACNA1C (0.58) CYP1A2HIF1ACYP2C9ADORA3CYP3A4
SCHEMBL7158381 0.90 ADORA3 (0.80) CYP1A2HIF1ACYP2C9ADORA3CYP3A4
SCHEMBL6727785 0.85 CACNA1D (0.72) CYP1A2HIF1ACYP2C9ADORA3CYP3A4
SCHEMBL7434487 0.85 CYP1A2 (0.57) CYP1A2HIF1ACYP2C9ADORA3CYP3A4
SCHEMBL7425673 0.84 ADORA3 (0.68) CYP1A2HIF1ACYP2C9ADORA3CYP3A4
SCHEMBL7264493 0.84 ADORA3 (0.85) CYP1A2HIF1ACYP2C9ADORA3CYP3A4
SCHEMBL10858643 0.84 CYP1A2 (0.59) CYP1A2HIF1ACYP2C9ADORA3CYP3A4
SCHEMBL10909420 0.84 ADORA3 (0.77) CYP1A2HIF1ACYP2C9ADORA3CYP3A4
SCHEMBL7438852 0.83 CYP1A2 (0.55) CYP1A2HIF1ACYP2C9ADORA3CYP3A4
SCHEMBL7434261 0.83 CYP2C9 (0.55) CYP1A2HIF1ACYP2C9ADORA3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction ANIONA APS (DK) 2002-08-29 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-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction KCNN2, KCNN1, KCNJ2 CYP1A2 3170/4885HIF1A 2396/4885CYP2C9 4565/4885

“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.